Acta Crystallographica Section E
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Acta Crystallographica Section E: Crystallographic Communications is the IUCr's popular open-access structural journal. It provides a simple and easily accessible publication mechanism for inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. The average publication time is less than one month.enCopyright (c) 2024 International Union of Crystallography2024-03-28International Union of CrystallographyInternational Union of Crystallographyhttp://journals.iucr.orgurn:issn:2056-9890Acta Crystallographica Section E: Crystallographic Communications is the IUCr's popular open-access structural journal. It provides a simple and easily accessible publication mechanism for inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. The average publication time is less than one month.text/htmlActa Crystallographica Section E: Crystallographic Communications, Volume 80, Part 4, 2024textweekly12002-01-01T00:00+00:004802024-03-28Acta Crystallographica Section E: Crystallographic Communications343urn:issn:2056-9890med@iucr.orgMarch 20242024-03-28Acta Crystallographica Section Ehttp://journals.iucr.org/logos/rss10e.gif
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Still imageThe unanticipated oxidation of a tertiary amine in a tetracyclic glyoxal-cyclam condensate yielding zinc(II) coordinated to a sterically hindered amine oxide
http://scripts.iucr.org/cgi-bin/paper?pk2704
The complex, trichlorido(1,4,11-triaza-8-azoniatetracyclo[6.6.2.04,16.011,15]hexadecane 1-oxide-κO)zinc(II) monohydrate, [ZnCl3(C12H23N4O)]·H2O, (I), has monoclinic symmetry (space group P21/n) at 120 K. The zinc(II) center adopts a slightly distorted tetrahedral coordination geometry and is coordinated by three chlorine atoms and the oxygen atom of the oxidized tertiary amine of the tetracycle. The amine nitrogen atom, inside the ligand cleft, is protonated and forms a hydrogen bond to the oxygen of the amine oxide. Additional hydrogen-bonding interactions involve the protonated amine, the water solvate oxygen atom, and one of the chloro ligands.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Hubin, D.J.Cunningham, B.M.Hubin, T.J.Ebel, J.P.Krause, J.A.Oliver, A.G.2024-03-06doi:10.1107/S2056989024001889International Union of CrystallographyThe crystal structure of the first reported glyoxal–tetraazamacrocycle condensate amine oxide is presented. The sterically hindered oxidized amine binds zinc(II) through the oxygen atom in its folded cleft, with an internal hydrogen bond across the cleft between the oxygen and a protonated tertiary nitrogen.ENcrystal structurezinc(II)glyoxal-cyclamThe complex, trichlorido(1,4,11-triaza-8-azoniatetracyclo[6.6.2.04,16.011,15]hexadecane 1-oxide-κO)zinc(II) monohydrate, [ZnCl3(C12H23N4O)]·H2O, (I), has monoclinic symmetry (space group P21/n) at 120 K. The zinc(II) center adopts a slightly distorted tetrahedral coordination geometry and is coordinated by three chlorine atoms and the oxygen atom of the oxidized tertiary amine of the tetracycle. The amine nitrogen atom, inside the ligand cleft, is protonated and forms a hydrogen bond to the oxygen of the amine oxide. Additional hydrogen-bonding interactions involve the protonated amine, the water solvate oxygen atom, and one of the chloro ligands.text/htmlThe unanticipated oxidation of a tertiary amine in a tetracyclic glyoxal-cyclam condensate yielding zinc(II) coordinated to a sterically hindered amine oxidetext4802024-03-06Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications3433462335501Synthesis, crystal structure and Hirshfeld surface analysis of N-(6-acetyl-1-nitronaphthalen-2-yl)acetamide
http://scripts.iucr.org/cgi-bin/paper?zn2035
The title compound, C14H12N2O4, was obtained from 2-acetyl-6-aminonaphthalene through two-step reactions of acetylation and nitration. The molecule comprises the naphthalene ring system consisting of functional systems bearing a acetyl group (C-2), a nitro group (C-5), and an acetylamino group (C-6). In the crystal, the molecules are assembled into two-dimensional sheet-like structures by intermolecular N—H...O and C—H...O hydrogen-bonding interactions. Hirshfeld surface analysis illustrates that the most important contributions to the crystal packing are from O...H/H...O (43.7%), H...H (31.0%), and C...H/H...C (8.5%) contacts.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Shi, X.-W.Zheng, S.-J.Lu, Q.-Q.Li, G.Zhou, Y.2024-03-06doi:10.1107/S2056989024001609International Union of CrystallographyThe title compound, C14H12N2O4, obtained from 2-acetyl-6-aminonaphthalene through two-step reactions of acetylation and nitration, is a Prodane fluorescent dye. In the crystal, the molecules are assembled into two-dimensional sheet-like structures by intermolecular N—H...O hydrogen bonding and π–π stacking interactions. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from O...H/H...O (43.7%), H...H (31.0%), and C...H/H...C (8.5%) contacts.ENcrystal structurenaphthalene ringhydrogen bondingHirshfeld surface analysisThe title compound, C14H12N2O4, was obtained from 2-acetyl-6-aminonaphthalene through two-step reactions of acetylation and nitration. The molecule comprises the naphthalene ring system consisting of functional systems bearing a acetyl group (C-2), a nitro group (C-5), and an acetylamino group (C-6). In the crystal, the molecules are assembled into two-dimensional sheet-like structures by intermolecular N—H...O and C—H...O hydrogen-bonding interactions. Hirshfeld surface analysis illustrates that the most important contributions to the crystal packing are from O...H/H...O (43.7%), H...H (31.0%), and C...H/H...C (8.5%) contacts.text/htmlSynthesis, crystal structure and Hirshfeld surface analysis of N-(6-acetyl-1-nitronaphthalen-2-yl)acetamidetext4802024-03-06Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications3473502333518CoII-catalysed synthesis of N-(4-methoxyphenyl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-amine hemihydrochloride monohydrate
http://scripts.iucr.org/cgi-bin/paper?hb8088
The title compound, C14H12N4O2·0.5HCl·H2O or H(C14H12N4O2)2+·Cl−·2H2O, arose from the unexpected cyclization of isonicotinoyl-N-phenyl hydrazine carbothioamide catalysed by cobalt(II) acetate. The organic molecule is almost planar and a symmetric N...H+...N hydrogen bond links two of them together, with the H atom lying on a crystallographic twofold axis. The extended structure features N—H...O and O—H...Cl hydrogen bonds, which generate [001] chains. Weak C—H...Cl interactions cross-link the chains. The chloride ion has site symmetry 2. The major contributions to the Hirshfeld surface are from H...H (47.1%), Cl...H/H...Cl (total 10.8%), O...H/H...O (7.4%) and N...H/H...N (6.7%) interactions.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Gautam, R.N.Sonkar, S.P.Yadav, S.Nath, P.Bharty, M.K.2024-03-12doi:10.1107/S2056989024002044International Union of CrystallographyThe CoII-catalysed synthesis and crystal structure is reported for the title compound, which features a symmetric N...H+...N unit.EN1,3,4-oxadiazolecyclo-desulfurizationHirshfeld surface analysiscrystal structureThe title compound, C14H12N4O2·0.5HCl·H2O or H(C14H12N4O2)2+·Cl−·2H2O, arose from the unexpected cyclization of isonicotinoyl-N-phenyl hydrazine carbothioamide catalysed by cobalt(II) acetate. The organic molecule is almost planar and a symmetric N...H+...N hydrogen bond links two of them together, with the H atom lying on a crystallographic twofold axis. The extended structure features N—H...O and O—H...Cl hydrogen bonds, which generate [001] chains. Weak C—H...Cl interactions cross-link the chains. The chloride ion has site symmetry 2. The major contributions to the Hirshfeld surface are from H...H (47.1%), Cl...H/H...Cl (total 10.8%), O...H/H...O (7.4%) and N...H/H...N (6.7%) interactions.text/htmlCoII-catalysed synthesis of N-(4-methoxyphenyl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-amine hemihydrochloride monohydratetext4802024-03-12Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications3513542238764Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide
http://scripts.iucr.org/cgi-bin/paper?yz2051
The structures of ten phosphane chalcogenide complexes of gold(III) halides, with general formula R13–nR2nPEAuX3 (R1 = t-butyl; R2 = i-propyl; n = 0 to 3; E = S or Se; X = Cl or Br) are presented. The eight possible chlorido derivatives are: 9a, n = 3, E = S; 10a, n = 2, E = S; 11a, n = 1, E = S; 12a, n = 0, E = S; 13a, n = 3, E = Se; 14a, n = 2, E = Se; 15a, n = 1, E = Se; and 16a, n = 0, E = Se, and the corresponding bromido derivatives are 9b–16b in the same order. Structures were obtained for 9a, 10a (and a second polymorph 10aa), 11a (and its deuterochloroform monosolvate 11aa), 12a (as its dichloromethane monosolvate), 14a, 15a (as its deuterochloroform monosolvate 15aa, in which the solvent molecule is disordered over two positions), 9b, 11b, 13b and 15b. The structures of 11a, 15a, 11b and 15b form an isotypic set, and those of compounds 10aa and 14a form an isotypic pair. All structures have Z′ = 1. The gold(III) centres show square-planar coordination geometry and the chalcogenide atoms show approximately tetrahedral angles (except for the very wide angle in 12a, probably associated with the bulky t-butyl groups). The bond lengths at the gold atoms are lengthened with respect to the known gold(I) derivatives, and demonstrate a considerable trans influence of S and Se donor atoms on a trans Au—Cl bond. Each compound with an isopropyl group shows a short intramolecular contact of the type C—Hmethine...Xcis; these may be regarded as intramolecular ‘weak’ hydrogen bonds, and they determine the orientation of the AuX3 groups. The molecular packing is analysed in terms of various short contacts such as weak hydrogen bonds C—H...X and contacts between the heavier atoms, such as X...X (9a, 10aa, 11aa, 15aa and 9b), S...S (10aa, 11a and 12a) and S...Cl (10a). The packing of the polymorphs 10a and 10aa is thus quite different. The solvent molecules take part in C—H...Cl hydrogen bonds; for 15aa, a disordered solvent region at z ≃ 0 is observed. Structure 13b involves unusual inversion-symmetric dimers with Se...Au and Se...Br contacts, further connected by Br...Br contacts.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Upmann, D.Bockfeld, D.Jones, P.G.Târcoveanu, E.2024-03-12doi:10.1107/S2056989024002032International Union of CrystallographyThe structures of ten phosphane chalcogenide complexes of gold(III) halides are presented and compared.ENcrystal structuregold(III) halidesphosphane chalcogenidessecondary interactionsThe structures of ten phosphane chalcogenide complexes of gold(III) halides, with general formula R13–nR2nPEAuX3 (R1 = t-butyl; R2 = i-propyl; n = 0 to 3; E = S or Se; X = Cl or Br) are presented. The eight possible chlorido derivatives are: 9a, n = 3, E = S; 10a, n = 2, E = S; 11a, n = 1, E = S; 12a, n = 0, E = S; 13a, n = 3, E = Se; 14a, n = 2, E = Se; 15a, n = 1, E = Se; and 16a, n = 0, E = Se, and the corresponding bromido derivatives are 9b–16b in the same order. Structures were obtained for 9a, 10a (and a second polymorph 10aa), 11a (and its deuterochloroform monosolvate 11aa), 12a (as its dichloromethane monosolvate), 14a, 15a (as its deuterochloroform monosolvate 15aa, in which the solvent molecule is disordered over two positions), 9b, 11b, 13b and 15b. The structures of 11a, 15a, 11b and 15b form an isotypic set, and those of compounds 10aa and 14a form an isotypic pair. All structures have Z′ = 1. The gold(III) centres show square-planar coordination geometry and the chalcogenide atoms show approximately tetrahedral angles (except for the very wide angle in 12a, probably associated with the bulky t-butyl groups). The bond lengths at the gold atoms are lengthened with respect to the known gold(I) derivatives, and demonstrate a considerable trans influence of S and Se donor atoms on a trans Au—Cl bond. Each compound with an isopropyl group shows a short intramolecular contact of the type C—Hmethine...Xcis; these may be regarded as intramolecular ‘weak’ hydrogen bonds, and they determine the orientation of the AuX3 groups. The molecular packing is analysed in terms of various short contacts such as weak hydrogen bonds C—H...X and contacts between the heavier atoms, such as X...X (9a, 10aa, 11aa, 15aa and 9b), S...S (10aa, 11a and 12a) and S...Cl (10a). The packing of the polymorphs 10a and 10aa is thus quite different. The solvent molecules take part in C—H...Cl hydrogen bonds; for 15aa, a disordered solvent region at z ≃ 0 is observed. Structure 13b involves unusual inversion-symmetric dimers with Se...Au and Se...Br contacts, further connected by Br...Br contacts.text/htmlCrystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromidetext4802024-03-12Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications3553692156390233882121568672338822215686821568702338823215686923388242156786215678921567872156790Crystal structure of tetraphenyl phosphate tetrakis[dimethyl (2,2,2-trichloroacetyl)phosphoramidato]lutetium(III), PPh4[LuL4]
http://scripts.iucr.org/cgi-bin/paper?dj2075
A lutetium(III) complex based on the anion of the ligand dimethyl (2,2,2-trichloroacetyl)phosphoramidate (HL) and tetraphenylphosphonium, of composition PPh4[LuL4] (L = CAPh = carbacylamidophosphate), or (C24H20)[Lu(C4H6Cl3NO4P)4], has been synthesized and structurally characterized. The X-ray diffraction study of the compound revealed that the lutetium ion is surrounded by four bis-chelating CAPh ligands, forming the complex anion [LuL4]− with a coordination number of 8[O] for LuIII, while PPh4+ serves as a counter-ion. The coordination geometry around the Lu3+ ion was determined to be a nearly perfect triangular dodecahedron. The complex crystallizes in the monoclinic crystal system, space group P21/c, with four molecules in the unit cell. Weak hydrogen bonds O...HC(Ph), Cl...HC(Ph) and N...HC(Ph) are formed between the cations and anions. For a comparative study, HL-based structures were retrieved from the Cambridge Structural Database (CSD) and their geometries and conformations are discussed. A Hirshfeld surface analysis was also performed.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Struhatska, M.B.Ovchynnikov, V.A.Kariaka, N.S.Gawryszewska, P.Amirkhanov, V.M.2024-03-12doi:10.1107/S205698902400210XInternational Union of CrystallographyThe crystal structure of the anionic lutetium(III) tetrakis-CAPh complex (CAPh = carbacylamidophosphate) with tetraphenyl phosphate as the cation, PPh4[LuL4], is presented and discussed.ENcrystal structurelanthanidecarbacylamidophosphate CAPhrare-earth metalscoordination compoundtetrakis complexchelate ligandlutetiumtetraphenylphosphonium cationA lutetium(III) complex based on the anion of the ligand dimethyl (2,2,2-trichloroacetyl)phosphoramidate (HL) and tetraphenylphosphonium, of composition PPh4[LuL4] (L = CAPh = carbacylamidophosphate), or (C24H20)[Lu(C4H6Cl3NO4P)4], has been synthesized and structurally characterized. The X-ray diffraction study of the compound revealed that the lutetium ion is surrounded by four bis-chelating CAPh ligands, forming the complex anion [LuL4]− with a coordination number of 8[O] for LuIII, while PPh4+ serves as a counter-ion. The coordination geometry around the Lu3+ ion was determined to be a nearly perfect triangular dodecahedron. The complex crystallizes in the monoclinic crystal system, space group P21/c, with four molecules in the unit cell. Weak hydrogen bonds O...HC(Ph), Cl...HC(Ph) and N...HC(Ph) are formed between the cations and anions. For a comparative study, HL-based structures were retrieved from the Cambridge Structural Database (CSD) and their geometries and conformations are discussed. A Hirshfeld surface analysis was also performed.text/htmlCrystal structure of tetraphenyl phosphate tetrakis[dimethyl (2,2,2-trichloroacetyl)phosphoramidato]lutetium(III), PPh4[LuL4]text4802024-03-12Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications3703742337153Crystal structure of (S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone
http://scripts.iucr.org/cgi-bin/paper?jy2039
The structure of (S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone, C13H13ClFNO4, at 100 K has monoclinic (P21) symmetry. The compound has a polymeric structure propagated by a screw axis parallel to the b axis with N—H...O hydrogen bonding. It is of interest with respect to efforts in the synthesis of a candidate anticancer drug, parsaclisib.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Li, V.Yap, G.P.A.Ni, C.2024-03-19doi:10.1107/S2056989024001920International Union of CrystallographyThe structure of (S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone has been determined to establish its absolute configuration in efforts to synthesize an anticancer drug candidate, parsaclisib.ENcrystal structureoxazolidinoneparsaclibpharmaceuticalkinase inhibitoranti-cancerdrugThe structure of (S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone, C13H13ClFNO4, at 100 K has monoclinic (P21) symmetry. The compound has a polymeric structure propagated by a screw axis parallel to the b axis with N—H...O hydrogen bonding. It is of interest with respect to efforts in the synthesis of a candidate anticancer drug, parsaclisib.text/htmlCrystal structure of (S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinonetext4802024-03-19Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications3753772306123Crystal structure and Hirshfeld surface analysis of 6-imino-8-(4-methylphenyl)-1,3,4,6-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile
http://scripts.iucr.org/cgi-bin/paper?nx2006
In the ten-membered 1,3,4,6-tetrahydro-2H-pyrido[1,2-a]pyrimidine ring system of the title compound, C17H15N5, the 1,2-dihydropyridine ring is essentially planar (r.m.s. deviation = 0.001 Å), while the 1,3-diazinane ring has a distorted twist-boat conformation. In the crystal, molecules are linked by N—H...N and C—H...N hydrogen bonds, forming a three-dimensional network. In addition, C—H...π interactions form layers parallel to the (100) plane. Thus, crystal-structure cohesion is ensured. According to a Hirshfeld surface study, H...H (40.4%), N...H/H...N (28.6%) and C...H/H...C (24.1%) interactions are the most important contributors to the crystal packing.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Naghiyev, F.N.Khrustalev, V.N.Akkurt, M.Dobrokhotova, E.V.Bhattarai, A.Khalilov, A.N.Mamedov, İ.G.2024-03-21doi:10.1107/S2056989024002500International Union of CrystallographyIn the crystal, molecules are linked by N—H...N and C–H...N hydrogen bonds, forming a three-dimensional network. In addition, C—H...π interactions form layers parallel to the (100) plane. Thus, crystal-structure cohesion is ensured.ENcrystal structure1,2-dihydropyridine ring1,3-diazinane ringhydrogen bondsC–H...π interactionsHirshfeld surface analysisIn the ten-membered 1,3,4,6-tetrahydro-2H-pyrido[1,2-a]pyrimidine ring system of the title compound, C17H15N5, the 1,2-dihydropyridine ring is essentially planar (r.m.s. deviation = 0.001 Å), while the 1,3-diazinane ring has a distorted twist-boat conformation. In the crystal, molecules are linked by N—H...N and C—H...N hydrogen bonds, forming a three-dimensional network. In addition, C—H...π interactions form layers parallel to the (100) plane. Thus, crystal-structure cohesion is ensured. According to a Hirshfeld surface study, H...H (40.4%), N...H/H...N (28.6%) and C...H/H...C (24.1%) interactions are the most important contributors to the crystal packing.text/htmlCrystal structure and Hirshfeld surface analysis of 6-imino-8-(4-methylphenyl)-1,3,4,6-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitriletext4802024-03-21Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications3783822340712Synthesis, crystal structure and Hirshfeld surface analysis of 2-phenyl-3-(prop-2-yn-1-yloxy)quinoxaline
http://scripts.iucr.org/cgi-bin/paper?vm2298
In the title compound, C17H12N2O, the quinoxaline moiety shows deviations of 0.0288 (7) to −0.0370 (7) Å from the mean plane (r.m.s. deviation of fitted atoms = 0.0223 Å). In the crystal, corrugated layers two molecules thick are formed by C—H...N hydrogen bonds and π-stacking interactions.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Abad, N.Mague, J.T.Alsubari, A.Essassi, E.M.Pourayoubi, M.Yahya Abdullah Alzahrani, A.Ramli, Y.2024-03-21doi:10.1107/S2056989024002585International Union of CrystallographyIn the title compound, the quinoxaline moiety shows deviations of 0.0288 (7) to −0.0370 (7) Å from the mean plane (r.m.s. deviation of fitted atoms = 0.0223 Å). In the crystal, corrugated layers two molecules thick are formed by C—H...N hydrogen bonds and π-stacking interactions.ENcrystal structurequinoxalinealkylationhydrogen bondπ-stackingIn the title compound, C17H12N2O, the quinoxaline moiety shows deviations of 0.0288 (7) to −0.0370 (7) Å from the mean plane (r.m.s. deviation of fitted atoms = 0.0223 Å). In the crystal, corrugated layers two molecules thick are formed by C—H...N hydrogen bonds and π-stacking interactions.text/htmlSynthesis, crystal structure and Hirshfeld surface analysis of 2-phenyl-3-(prop-2-yn-1-yloxy)quinoxalinetext4802024-03-21Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications3833872142451Synthesis, characterization and supramolecular analysis for (E)-3-(pyridin-4-yl)acrylic acid
http://scripts.iucr.org/cgi-bin/paper?ex2082
The title compound, C8H7NO2, crystallizes as prismatic colourless crystals in space group P\overline{1}, with one molecule in the asymmetric unit. The pyridine ring is fused to acrylic acid, forming an almost planar structure with an E-configuration about the double bond with a torsion angle of −6.1 (2)°. In the crystal, strong O—H...N interactions link the molecules, forming chains along the [101] direction. Weak C—H...O interactions link adjacent chains along the [100] direction, generating an R22(14) homosynthon. Finally, π–π stacking interactions lead to the formation of the three-dimensional structure. The supramolecular analysis was supported by Hirshfeld surface and two-dimensional fingerprint plot analysis, indicating that the most abundant contacts are associated with H...H, O...H/H...O, N...H/H...N and C...H/H...C interactions.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Florez-Muñoz, V.Guerrero, A.F.Macias, M.Illicachi, L.A.D'Vries, R.2024-03-26doi:10.1107/S2056989024002627International Union of CrystallographyIn the title compound, the pyridine ring is fused to acrylic acid, forming an almost planar structure with an E-configuration about the double bond. In the crystal, O—H...N and C—H...O interactions together with π–π stacking interactions lead to the formation of the three-dimensional structure.ENcrystal structure(E)-3-(pyridin-4-yl)acrylic acidsupramolecular analysisThe title compound, C8H7NO2, crystallizes as prismatic colourless crystals in space group P\overline{1}, with one molecule in the asymmetric unit. The pyridine ring is fused to acrylic acid, forming an almost planar structure with an E-configuration about the double bond with a torsion angle of −6.1 (2)°. In the crystal, strong O—H...N interactions link the molecules, forming chains along the [101] direction. Weak C—H...O interactions link adjacent chains along the [100] direction, generating an R22(14) homosynthon. Finally, π–π stacking interactions lead to the formation of the three-dimensional structure. The supramolecular analysis was supported by Hirshfeld surface and two-dimensional fingerprint plot analysis, indicating that the most abundant contacts are associated with H...H, O...H/H...O, N...H/H...N and C...H/H...C interactions.text/htmlSynthesis, characterization and supramolecular analysis for (E)-3-(pyridin-4-yl)acrylic acidtext4802024-03-26Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications3883912341592Synthesis and crystal structure of N-phenyl-2-(phenylsulfanyl)acetamide
http://scripts.iucr.org/cgi-bin/paper?yz2049
N-Phenyl-2-(phenylsulfanyl)acetamide, C14H13NOS, was synthesized and structurally characterized. In the crystal, N—H...O hydrogen bonding leads to the formation of chains of molecules along the [100] direction. The chains are linked by C—H...π interactions, forming a three-dimensional network. The crystal studied was twinned by a twofold rotation around [100].Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Mohamed-Ezzat, R.A.Kariuki, B.M.Elgemeie, G.H.2024-03-26doi:10.1107/S2056989024002573International Union of CrystallographyIn the crystal of the title compound, N—H...O hydrogen bonds form chains of molecules along the [100] direction. The chains are linked by C—H...π interactions, forming a three-dimensional network.ENcrystal structureacetamidesulfidesynthesisN-Phenyl-2-(phenylsulfanyl)acetamide, C14H13NOS, was synthesized and structurally characterized. In the crystal, N—H...O hydrogen bonding leads to the formation of chains of molecules along the [100] direction. The chains are linked by C—H...π interactions, forming a three-dimensional network. The crystal studied was twinned by a twofold rotation around [100].text/htmlSynthesis and crystal structure of N-phenyl-2-(phenylsulfanyl)acetamidetext4802024-03-26Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications3923952311395Crystal structure of 2,4-diamino-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-chromeno[2,3-b]pyridine-3-carbonitrile–dimethylformamide–water (1/1/1)
http://scripts.iucr.org/cgi-bin/paper?yz2052
In the structure of the title compound, C22H22N4O4·C3H7NO·H2O, the entire tricyclic system is approximately planar except for the carbon atom bearing the two methyl groups; the methoxyphenyl ring is approximately perpendicular to the tricycle. All seven potential hydrogen-bond donors take part in classical hydrogen bonds. The main molecule and the DMF combine to form broad ribbons parallel to the a axis and roughly parallel to the ab plane; the water molecules connect the residues in the third dimension.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Metwally, N.H.Elgemeie, G.H.Abd Al-latif, E.S.M.Jones, P.G.2024-03-26doi:10.1107/S2056989024002615International Union of CrystallographyThe heterocyclic system of the title compound is approximately planar except for the carbon atom of the CMe2 group; the residues are connected by extensive classical hydrogen bonding.ENcrystal structurechromenopyridinesolvatesecondary interactionsIn the structure of the title compound, C22H22N4O4·C3H7NO·H2O, the entire tricyclic system is approximately planar except for the carbon atom bearing the two methyl groups; the methoxyphenyl ring is approximately perpendicular to the tricycle. All seven potential hydrogen-bond donors take part in classical hydrogen bonds. The main molecule and the DMF combine to form broad ribbons parallel to the a axis and roughly parallel to the ab plane; the water molecules connect the residues in the third dimension.text/htmlCrystal structure of 2,4-diamino-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-chromeno[2,3-b]pyridine-3-carbonitrile–dimethylformamide–water (1/1/1)text4802024-03-26Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications3964002341559Lithium and sodium 3-(3,4-dihydroxyphenyl)propenoate hydrate
http://scripts.iucr.org/cgi-bin/paper?wm5710
Treatment of 3-(3,4-dihydroxyphenyl)propenoic acid (caffeic acid or 3,4-dihydroxycinnamic acid) with the alkali hydroxides MOH (M = Li, Na) in aqueous solution led to the formation of poly[aqua[μ-3-(3,4-dihydroxyphenyl)propenoato]lithium], [Li(C9H7O4)(H2O)]n, 1, and poly[aqua[μ-3-(3,4-dihydroxyphenyl)propenoato]sodium], [Na(C9H7O4)(H2O)]n, 2. The crystal structure of 1 consists of a lithium cation that is coordinated nearly tetrahedrally by three carboxylate oxygen atoms and a water molecule. The carboxylate groups adopt a μ3-κ3O:O′:O′ coordination mode that leads to a chain-like catenation of Li cations and carboxylate units parallel to the b axis. Moreover, the lithium carboxylate chains are connected by hydrogen bonds between water molecules attached to lithium and catechol OH groups. The crystal structure of 2 shows a sevenfold coordination of the sodium cation by one water molecule, two monodentately binding carboxylate groups and four oxygen atoms from two catechol groups. The coordination polyhedra are linked by face- and edge-sharing into chains extending parallel to the b axis. The chains are interlinked by the bridging 3-(3,4-dihydroxyphenyl)propenoate units and by intermolecular hydrogen bonds to form the tri-periodic network.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Bieler, I.Wagner, C.Merzweiler, K.2024-03-26doi:10.1107/S2056989024002494International Union of CrystallographyThe Li cation in the crystal structure of the lithium salt LiC9H7O4·H2O shows a coordination number of four whereas the Na cation in the crystal structure of the sodium salt NaC9H7O4·H2O shows a coordination number of seven.ENcrystal structurecaffeic acidlithiumsodiumhydrogen-bondingTreatment of 3-(3,4-dihydroxyphenyl)propenoic acid (caffeic acid or 3,4-dihydroxycinnamic acid) with the alkali hydroxides MOH (M = Li, Na) in aqueous solution led to the formation of poly[aqua[μ-3-(3,4-dihydroxyphenyl)propenoato]lithium], [Li(C9H7O4)(H2O)]n, 1, and poly[aqua[μ-3-(3,4-dihydroxyphenyl)propenoato]sodium], [Na(C9H7O4)(H2O)]n, 2. The crystal structure of 1 consists of a lithium cation that is coordinated nearly tetrahedrally by three carboxylate oxygen atoms and a water molecule. The carboxylate groups adopt a μ3-κ3O:O′:O′ coordination mode that leads to a chain-like catenation of Li cations and carboxylate units parallel to the b axis. Moreover, the lithium carboxylate chains are connected by hydrogen bonds between water molecules attached to lithium and catechol OH groups. The crystal structure of 2 shows a sevenfold coordination of the sodium cation by one water molecule, two monodentately binding carboxylate groups and four oxygen atoms from two catechol groups. The coordination polyhedra are linked by face- and edge-sharing into chains extending parallel to the b axis. The chains are interlinked by the bridging 3-(3,4-dihydroxyphenyl)propenoate units and by intermolecular hydrogen bonds to form the tri-periodic network.text/htmlLithium and sodium 3-(3,4-dihydroxyphenyl)propenoate hydratetext4802024-03-26Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications40140723406722340673Synthesis, crystal structure and Hirshfeld surface analysis of bromidotetrakis[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine-κN3]copper(II) bromide
http://scripts.iucr.org/cgi-bin/paper?ny2003
A novel cationic complex, bromidotetrakis[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine-κN3]copper(II) bromide, [CuBr](C5H7N3S2)4Br, was synthesized. The complex crystallizes with fourfold molecular symmetry in the tetragonal space group P4/n. The CuII atom exhibits a square-pyramidal coordination geometry. The Cu atom is located centrally within the complex, being coordinated by four nitrogen atoms from four AAT molecules, while a bromine anion is located at the apex of the pyramid. The amino H atoms of AAT interact with bromine from the inner and outer spheres, forming a two-dimensional network in the [100] and [010] directions. Hirshfeld surface analysis reveals that 33.7% of the intermolecular interactions are from H...H contacts, 21.2% are from S...H/H...S contacts, 13.4% are from S...S contacts and 11.0% are from C...H/H...C, while other contributions are from Br...H/H...Br and N...H/H...N contacts.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Atashov, A.Azamova, M.Ziyatov, D.Uzakbergenova, Z.Torambetov, B.Holczbauer, T.Ashurov, J.Kadirova, S.2024-03-26doi:10.1107/S2056989024002652International Union of CrystallographyThe molecular and crystal structure of the bromidotetrakis[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine-κN3]copper(II) bromide complex was studied and Hirshfeld surfaces and fingerprint plots were generated to investigate the various intermolecular interactions.ENcrystal structurecopper(II)1,3,4-thiadiazolehydrogen bondingHirshfeld surface analysisA novel cationic complex, bromidotetrakis[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine-κN3]copper(II) bromide, [CuBr](C5H7N3S2)4Br, was synthesized. The complex crystallizes with fourfold molecular symmetry in the tetragonal space group P4/n. The CuII atom exhibits a square-pyramidal coordination geometry. The Cu atom is located centrally within the complex, being coordinated by four nitrogen atoms from four AAT molecules, while a bromine anion is located at the apex of the pyramid. The amino H atoms of AAT interact with bromine from the inner and outer spheres, forming a two-dimensional network in the [100] and [010] directions. Hirshfeld surface analysis reveals that 33.7% of the intermolecular interactions are from H...H contacts, 21.2% are from S...H/H...S contacts, 13.4% are from S...S contacts and 11.0% are from C...H/H...C, while other contributions are from Br...H/H...Br and N...H/H...N contacts.text/htmlSynthesis, crystal structure and Hirshfeld surface analysis of bromidotetrakis[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine-κN3]copper(II) bromidetext4802024-03-26Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications4084122341909Crystal structure and Hirshfeld surface analysis of 4,4′-dimethoxybiphenyl-3,3′,5,5′-tetracarboxylic acid dihydrate
http://scripts.iucr.org/cgi-bin/paper?ex2080
In the crystal of the title compound, C18H14O10·2H2O, the arene rings of the biphenyl moiety are tilted at an angle of 24.3 (1)°, while the planes passing through the carboxyl groups are rotated at angles of 8.6 (1) and 7.7 (1)° out of the plane of the benzene ring to which they are attached. The crystal structure is essentially stabilized by O—H...O bonds. Here, the carboxyl groups of neighbouring host molecules are connected by cyclic R22(8) synthons, leading to the formation of a three-dimensional network. The water molecules in turn form helical supramolecular strands running in the direction of the crystallographic c-axis (chain-like water clusters). The second H atom of each water molecule provides a link to a methoxy O atom of the host molecule. A Hirshfeld surface analysis was performed to quantify the contributions of the different intermolecular interactions, indicating that the most important contributions to the crystal packing are from H...O/O...H (37.0%), H...H (26.3%), H...C/C...H (18.5%) and C...O/O...C (9.5%) interactions.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Hanauer, T.Seichter, W.Mazik, M.2024-03-26doi:10.1107/S2056989024002305International Union of CrystallographyThe crystal structure is essentially stabilized by O—H...O bonds. Here, the carboxyl groups of neighbouring host molecules are connected by cyclic R_{2}^{2}(8) synthons, leading to the formation of a three-dimensional network. The water molecules in turn form helical supramolecular strands running in the c-axis direction (chain-like water clusters). The second H atom of each water molecule provides a link to a methoxy O atom of the host molecule.ENbiphenyl derivativeO—H...O hydrogen bondssupramolecular motifswater clusterhelical supramolecular strandsHirshfeld surfacecrystal structureIn the crystal of the title compound, C18H14O10·2H2O, the arene rings of the biphenyl moiety are tilted at an angle of 24.3 (1)°, while the planes passing through the carboxyl groups are rotated at angles of 8.6 (1) and 7.7 (1)° out of the plane of the benzene ring to which they are attached. The crystal structure is essentially stabilized by O—H...O bonds. Here, the carboxyl groups of neighbouring host molecules are connected by cyclic R22(8) synthons, leading to the formation of a three-dimensional network. The water molecules in turn form helical supramolecular strands running in the direction of the crystallographic c-axis (chain-like water clusters). The second H atom of each water molecule provides a link to a methoxy O atom of the host molecule. A Hirshfeld surface analysis was performed to quantify the contributions of the different intermolecular interactions, indicating that the most important contributions to the crystal packing are from H...O/O...H (37.0%), H...H (26.3%), H...C/C...H (18.5%) and C...O/O...C (9.5%) interactions.text/htmlCrystal structure and Hirshfeld surface analysis of 4,4′-dimethoxybiphenyl-3,3′,5,5′-tetracarboxylic acid dihydratetext4802024-03-26Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications4134172339048Crystal structure and Hirshfeld surface analysis of 8-benzyl-1-[(4-methylphenyl)sulfonyl]-2,7,8,9-tetrahydro-1H-3,6:10,13-diepoxy-1,8-benzodiazacyclopentadecine ethanol hemisolvate
http://scripts.iucr.org/cgi-bin/paper?vm2297
The asymmetric unit of the title compound, 2C31H28N2O4S·C2H6O, contains a parent molecule and a half molecule of ethanol solvent. The main compound stabilizes its molecular conformation by forming a ring with an R12(7) motif with the ethanol solvent molecule. In the crystal, molecules are connected by C—H...O and O—H...O hydrogen bonds, forming a three-dimensional network. In addition, C—H...π interactions also strengthen the molecular packing.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Burkin, G.M.Kvyatkovskaya, E.A.Khrustalev, V.N.Hasanov, K.I.Sadikhova, N.D.Akkurt, M.Bhattarai, A.2024-03-26doi:10.1107/S2056989024002275International Union of CrystallographyIn the crystal, molecules are connected by C—H...O and O—H...O hydrogen bonds, forming a three-dimensional network. In addition, C—H...π interactions also strengthen the molecular packing.ENcrystal structurefuransulfonamidemacrocycleshydrogen bondsC—H...π interactionsHirshfeld surface analysisThe asymmetric unit of the title compound, 2C31H28N2O4S·C2H6O, contains a parent molecule and a half molecule of ethanol solvent. The main compound stabilizes its molecular conformation by forming a ring with an R12(7) motif with the ethanol solvent molecule. In the crystal, molecules are connected by C—H...O and O—H...O hydrogen bonds, forming a three-dimensional network. In addition, C—H...π interactions also strengthen the molecular packing.text/htmlCrystal structure and Hirshfeld surface analysis of 8-benzyl-1-[(4-methylphenyl)sulfonyl]-2,7,8,9-tetrahydro-1H-3,6:10,13-diepoxy-1,8-benzodiazacyclopentadecine ethanol hemisolvatetext4802024-03-26Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications4184222338754Crystal structure, Hirshfeld surface analysis, calculations of crystal voids, interaction energy and energy frameworks as well as density functional theory (DFT) calculations of 3-[2-(morpholin-4-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione
http://scripts.iucr.org/cgi-bin/paper?wm5711
In the title molecule, C21H23N3O3, the imidazolidine ring slightly deviates from planarity and the morpholine ring exhibits the chair conformation. In the crystal, N—H...O and C—H...O hydrogen bonds form helical chains of molecules extending parallel to the c axis that are connected by C—H...π(ring) interactions. A Hirshfeld surface analysis reveals that the most important contributions for the crystal packing are from H...H (55.2%), H...C/C...H (22.6%) and H...O/O...H (20.5%) interactions. The volume of the crystal voids and the percentage of free space were calculated to be 236.78 Å3 and 12.71%, respectively. Evaluation of the electrostatic, dispersion and total energy frameworks indicates that the stabilization is dominated by the nearly equal electrostatic and dispersion energy contributions. The DFT-optimized molecular structure at the B3LYP/6-311 G(d,p) level is compared with the experimentally determined molecular structure in the solid state. Moreover, the HOMO–LUMO behaviour was elucidated to determine the energy gap.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Lamssane, H.Haoudi, A.Kartah, B.E.Mazzah, A.Mague, J.T.Hökelek, T.Kandri Rodi, Y.Sebbar, N.K.2024-03-26doi:10.1107/S2056989024002445International Union of CrystallographyIn the title molecule, the imidazolidine ring slightly deviates from planarity and the morpholine ring exhibits the usual chair conformation. In the crystal, N—H...O and C—H...O hydrogen bonds form helical chains of molecules extending parallel to the c axis that are connected by C—H...π(ring) interactions into a tri-periodic network.ENcrystal structureimidazolidinedionehydrogen bondC—H...π(ring) interactionIn the title molecule, C21H23N3O3, the imidazolidine ring slightly deviates from planarity and the morpholine ring exhibits the chair conformation. In the crystal, N—H...O and C—H...O hydrogen bonds form helical chains of molecules extending parallel to the c axis that are connected by C—H...π(ring) interactions. A Hirshfeld surface analysis reveals that the most important contributions for the crystal packing are from H...H (55.2%), H...C/C...H (22.6%) and H...O/O...H (20.5%) interactions. The volume of the crystal voids and the percentage of free space were calculated to be 236.78 Å3 and 12.71%, respectively. Evaluation of the electrostatic, dispersion and total energy frameworks indicates that the stabilization is dominated by the nearly equal electrostatic and dispersion energy contributions. The DFT-optimized molecular structure at the B3LYP/6-311 G(d,p) level is compared with the experimentally determined molecular structure in the solid state. Moreover, the HOMO–LUMO behaviour was elucidated to determine the energy gap.text/htmlCrystal structure, Hirshfeld surface analysis, calculations of crystal voids, interaction energy and energy frameworks as well as density functional theory (DFT) calculations of 3-[2-(morpholin-4-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dionetext4802024-03-26Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications4234292340426Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetate
http://scripts.iucr.org/cgi-bin/paper?vm2299
The quinoxaline moiety in the title molecule, C13H13ClN2O3, is almost planar (r.m.s. deviation of the fitted atoms = 0.033 Å). In the crystal, C—H...O hydrogen bonds plus slipped π-stacking and C—H...π(ring) interactions generate chains of molecules extending along the b-axis direction. The chains are connected by additional C—H...O hydrogen bonds. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H...H (37.6%), H...O/O...H (22.7%) and H...Cl/Cl...H (13.1%) interactions.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Mustaphi, N.E.H.Aboutofil, F.E.El Houssni, L.Saif, E.Mague, J.T.Chkirate, K.Essassi, E.M.2024-03-26doi:10.1107/S2056989024002664International Union of CrystallographyThe quinoxaline moiety is almost planar and the dihedral angle between the mean planes through the two constituent six-membered rings is 2.1 (2)°. In the crystal, C—H...O hydrogen bonds together with slipped π-stacking and C—H...π(ring) interactions generate chains of molecules extending along the b-axis direction. The chains are connected by additional C—H...O hydrogen bonds.ENcrystal structureC—H...π(ring) interactionπ-stackinghydrogen bondquinoxalineThe quinoxaline moiety in the title molecule, C13H13ClN2O3, is almost planar (r.m.s. deviation of the fitted atoms = 0.033 Å). In the crystal, C—H...O hydrogen bonds plus slipped π-stacking and C—H...π(ring) interactions generate chains of molecules extending along the b-axis direction. The chains are connected by additional C—H...O hydrogen bonds. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H...H (37.6%), H...O/O...H (22.7%) and H...Cl/Cl...H (13.1%) interactions.text/htmlCrystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetatetext4802024-03-26Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications4304342342203Synthesis and crystal structure of tetramethyl (E)-4,4′-(ethene-1,2-diyl)bis(5-nitrobenzene-1,2-dicarboxylate)
http://scripts.iucr.org/cgi-bin/paper?wm5712
The title compound, C22H18N2O12, was obtained as a by-product during the planned synthesis of 1,2-bis(2-nitro-4,5-dimethyl phthalate)ethane by oxidative dimerization starting from dimethyl-4-methyl-5-nitro phthalate. To identify this compound unambiguously, a single-crystal structure analysis was performed. The asymmetric unit consists of half a molecule that is located at a centre of inversion. As a result of symmetry restrictions, the molecule shows an E configuration around the double bond. Both phenyl rings are coplanar, whereas the nitro and the two methyl ester groups are rotated out of the ring plane by 32.6 (1), 56.5 (2) and 49.5 (2)°, respectively. In the crystal, molecules are connected into chains extending parallel to the a axis by pairs of C—H...O hydrogen bonds that are connected into a tri-periodic network by additional C—H...O hydrogen-bonding interactions.Copyright (c) 2024 International Union of Crystallographyurn:issn:2056-9890Businski, A.Ta, T.C.Gindullis, N.Näther, C.Herges, R.2024-03-28doi:10.1107/S2056989024002676International Union of CrystallographyIn the crystal structure of the title compound the two phenyl rings are coplanar, whereas the nitro and the two methyl ester groups are rotated out of the ring plane. The molecules are linked by intermolecular C—H...O hydrogen bonding into a tri-periodic network.ENcrystal structuresynthesisstilbene derivativediazocineThe title compound, C22H18N2O12, was obtained as a by-product during the planned synthesis of 1,2-bis(2-nitro-4,5-dimethyl phthalate)ethane by oxidative dimerization starting from dimethyl-4-methyl-5-nitro phthalate. To identify this compound unambiguously, a single-crystal structure analysis was performed. The asymmetric unit consists of half a molecule that is located at a centre of inversion. As a result of symmetry restrictions, the molecule shows an E configuration around the double bond. Both phenyl rings are coplanar, whereas the nitro and the two methyl ester groups are rotated out of the ring plane by 32.6 (1), 56.5 (2) and 49.5 (2)°, respectively. In the crystal, molecules are connected into chains extending parallel to the a axis by pairs of C—H...O hydrogen bonds that are connected into a tri-periodic network by additional C—H...O hydrogen-bonding interactions.text/htmlSynthesis and crystal structure of tetramethyl (E)-4,4′-(ethene-1,2-diyl)bis(5-nitrobenzene-1,2-dicarboxylate)text4802024-03-28Copyright (c) 2024 International Union of CrystallographyActa Crystallographica Section Eresearch communications4354382342598