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Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

July 2019 issue

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Cover illustration: Polyoxometallates (POMs) show a wide variety of applications and can be used to synthesize new hybrid organic-inorganic materials. The crystal structure of hexa­kis­(2-methyl-1H-imidazol-3-ium) hepta­molybdate 2-methyl-1H-imidazole disolvate dihydrate contains an [Mo7O24]6- anion, six (C4H7N2)6+ cations, two neutral C4H6N2 molecules and two water molecules of crystallization in the asymmetric unit. The components are linked by O-H...O, N-H...O, N-H...N and weak C-H...O interactions. See: Sarr, Mbaye, Diallo, Diop, Sidibe & Michaud [Acta Cryst. (2019). E75, 1001-1004].

research communications


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In the title compound, C20H18NO3P, the C=O and P=O groups of the carbacyl­amido­phosphate (CAPh) fragments are located in a synclinal position relative to each othe. The N—H group is involved in the formation of an intra­molecular hydrogen bond.

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The mol­ecule has an E configuration about the C=C bond and the carbonyl group is syn with respect to the C=C bond. In the crystal, the mol­ecules are connected into a tape structure by C—H⋯O and C—H⋯π inter­actions.

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The mol­ecular and crystal structure of the salt N,N,N-trimethyl-1-(4-vinyl­phen­yl)methanaminium 4-vinyl­benzene­sulfonate is reported. A Hirshfeld surface analysis of the salt and its individual components is also presented.

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The title mol­ecule consists of an imidazolidine unit linked to two phenyl rings and two prop-2-yn-1-yl moieties. The imidazolidine ring is oriented at dihedral angles of 79.10 (5) and 82.61 (5)° with respect to the phenyl rings, while the dihedral angle between the two phenyl rings is 62.06 (5)°. In the crystal, C—HProp⋯OImdzln (Prop = prop-2-yn-1-yl and Imdzln = imidazolidine) hydrogen bonds link the mol­ecules into infinite chains along the b-axis direction. Two weak C—HPhen⋯π inter­actions are also observed.

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A series of 3-(3-phenyl­prop-1-ene-3-one-1-yl)thio­phene derivatives containing –OH, –OCH3, –OCH2CH3 and –Br at the para-position of the phenyl ring have been synthesized and their mol­ecular and crystal structures are reported.

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A new quinoline-based hydrazone compound, has been synthesized by a condensation reaction of 2-chloro-3-formyl­quinoline with phenyl­hydrazine. The quinoline ring system is essentially planar (r.m.s. deviation = 0.012 Å), and forms a dihedral angle of 8.46 (10)° with the phenyl ring substituent.

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The new form of NaMnAsO4 (denoted as β) crystallizes in the monoclinic crystal system and is isotypic with one form of NaCoPO4 and with NaCuAsO4.

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The title compound crystallized from the mock-up of a typical electroless copper bath (ECB) as used to deposit copper on printed circuit boards, consisting of a copper(II) salt, soda lye, L-(+)-tartrate as a complexing agent, and 2,2′-bypyridine derivative as a stabilizer. Its layer-like crystal structure is dominated by extensive π stacking and classical hydrogen bonding.

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Determination of the crystal structure of Rb0.21(H2O)yWS2 is beneficial to understanding the topotactic reaction process to form metastable WS2. The temperature dependence of the electrical resistance indicates that Rb0.21(H2O)yWS2 is semiconducting at 80-300 K.

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In the title quinoline derivative, the two benzyl rings are inclined to the quinoline ring mean plane by 74.09 (8) and 89.43 (7)°.

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The crystal structure of pirfenidone, [5-methyl-1-phenyl­pyridin-2(1H)-one], an active pharmaceutical ingredient (API) approved in Europe and Japan for the treatment of idiopathic pulmonary fibrosis (IPF), is reported here for the first time. It was crystallized from toluene by the temperature gradient technique, and crystallizes in the chiral monoclinic space group P21.

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The asymmetric unit contains two crystallographically independent mol­ecules in which the dihedral angles between the benzene rings are 13.26 (5) and 7.87 (5)°. An intra­molecular O—H⋯N hydrogen bonds results in the formation of an S(6) ring motif. In the crystal, mol­ecules are linked by weak C—H⋯O and C—H⋯N hydrogen bonds, forming layers parallel to (011). π–π stacking inter­actions complete the three-dimensional network.

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The crystal structures of two multidentate CMPO-containing organic ligands are described. Both compounds feature N—H⋯O hydrogen bonds in the solid state.

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The title compound is built up from CaO7 polyhedra and HPO3 pseudo tetra­hedra sharing corners and edges to generate a three-dimensional network.

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In the crystal structure of hexa­kis­(2-methyl-1H-imidazol-3-ium) hepta­molybdate 2-methyl-1H-imidazole disolvate dihydrate,(C4H7N2)6[Mo7O24]·2C4H6N2·2H2O, [Mo7O24]6− hepta­molybdate anions, 2-methyl­imidazolium cations, neutral 2-methyl­imidazole mol­ecules and water mol­ecules are linked through hydrogen bonds into a three-dimensional network.

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The reaction of the ligand di­pyridyl­phosphine with (Re(CO)3(OC4H8)Br)2 followed by crystallization in chloro­form leads to [κ2-P,N-{(C6H5)2(C5H5N)P}Re(CO)3Br]·2CHCl3. Reaction of this complex with piperidine leads to partial decoordination of the 2-pyridyl­phosphine in the product, [P-{(C6H5)2(C5H5N)P}(C5H11N)Re(CO)3Br], which displays an intra­molecular hydrogen bond between the piperidine aminic hydrogen atom and the uncoordinated pyridyl group, with DA = 2.992 (9) Å.

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In the crystal structure of the isostructural title compounds [OH-(t-BuPOCOPt-Bu)PdCl] and [OH-(t-BuPOCOPt-Bu)PtCl] the MII centres are coordinated in a distorted square-planar fashion by the pincer and the chloride ligand.

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The complex cations of the title compounds, (I) and (II), contain tetra­gonally distorted CuN4O2 octa­hedra with four N atoms of the aza­macrocyclic ligand in the equatorial planes and two O atoms of the water mol­ecules in the axial positions. In the crystals, the isophthalate counter-ions form layers as a result of O—H⋯O hydrogen bonds with the water mol­ecules, which are pillared with the macrocyclic cations and lie parallel to the (\overline{1}01) and (100) planes in (I) and (II), respectively.

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X-ray powder diffraction was used to determine the structures of six different rare-earth oxyapatites that were shown to be isostructural.

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The title compounds, C14H10ClFN2OS (1) and C14H10BrFN2OS (2), were synthesized by two-step reactions·In the crystal of 1, inversion dimers linked by pairs of N—H⋯S hydrogen bonds generate R_{2}^{2}(8) loops. The extended structure of 2 features the same motif but an additional weak C—H⋯S inter­action links the inversion dimers into [100] double columns

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The title pyridazin-3(2H)-one derivative, crystallizes with two independent mol­ecules in the asymmetric unit. The two mol­ecules differ essentially in the orientation of the benzyl ring with respect to the central pyridazine ring; this dihedral angle being 3.70 (9) ° in one mol­ecule and 10.47 (8) ° in the other.

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Achiral (1R,2S,4r)-1,2,4-tri­phenyl­cyclo­pentane-1,2-diol and (1R,2S,4r)-4-(2-meth­oxy­phen­yl)-1,2-di­phenyl­cyclo­pentane-1,2-diol form one-dimensional chains via O—H⋯O hydrogen bonding in their crystals. The diols may serve as precatalyst activators for ring-opening polymerization of cyclic esters.

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The title compounds have the glaserite structure type. The DyO6 or GdO6 octa­hedra share their three six vertices with six VO4 tetra­hedra, three of which are upward and the other three down. The remaining cations are localized between the sheets resulting from the tetra­hedra-octa­hedra linkage via common vertices.

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The NiII atom in the mononuclear title complex has an almost regular octa­hedral N4O2 coordination geometry. In the crystal, the complex mol­ecules are linked in a three-dimensional network through strong O—H⋯N hydrogen bonds.

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The first main-group-metal–prehnitene π complexes have been obtained in form of the isotypic pair {[{1,2,3,4-(CH3)4C6H2}2Sn2Cl2][MCl4]2}x (M = Al, Ga) and crystal structure determinations thereof give strong evidence that a distorted η6 coordination mode, characterized by a small but significant ring slippage of ca 0.4 Å as well as a pronounced tilt of the plane of the arene ligand against the plane of the central (Sn2Cl2)2+ four-membered ring species, is an intrinsic feature of this kind of arene complexed dimeric chlorido­stannylene cation. Application of the bond-valence method in a indirect manner yields empirical bond valences of 0.38 and 0.37, respectively, which allow for classifying the metal–π-arene bonding as a strong non-covalent inter­action, which is in line with the expectation that [AlCl4] is the slightly weaker coordinating anion as compared to [GaCl4].

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The title tetra­nuclear cluster contains a tetra­hedral arrangement of copper(II) ions bonded to a central oxygen atom. The extended structure shows short O⋯N inter­actions between the nitro groups of adjacent clusters, which are oriented perpendicular to each other in a manner that has previously been described as an ONO2⋯π(N)NO2 inter­action.

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The title compound contains two mol­ecules in the asymmetric unit: both feature a distorted square-pyramidal CdN2OI2 coordination polyhedron and an intra­molecular N—H⋯N hydrogen bond.

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The title Schiff base compound, consisting of a cyclo­hexane and a 2-hy­droxy-3-methyl­benzyl­idene ring bridged by a hydrazinecarbo­thio­amine moiety, crystallizes with two independent mol­ecules in the asymmetric unit. In the crystal, the mol­ecules are linked by N—H⋯S hydrogen bonds and C—H⋯π inter­actions, forming ribbons along the [010] direction.


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The benzo­thia­zine skeleton is not planar, with a maximum deviation of 0.3154 (11) Å from the least-squares plane. The mol­ecule was expected to adopt mirror symmetry but slightly different conformational characteristics of the condensed benzo­thia­zine ring lead to point group symmetry 1.

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The title compound possesses crystallographically imposed twofold symmetry with the two C atoms of the central benzene ring and the C atom of its methyl substituent lying on the twofold rotation axis. The two dansyl groups are twisted away from the plane of methyl­phenyl bridging unit in opposite directions. The crystal packing features weak C—H⋯O hydrogen bonds.

Research communications

Research communications are designed to help authors bring out the science behind their structure determinations. Authors are encouraged to report more than one structure in the same communication and also to include the results of investigations with other techniques. The Research communications format makes Acta E the natural home for structure determinations with interesting science to report.

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