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Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

May 2024 issue

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Cover illustration: In an attempt to synthesize a complex of ethyltin(IV)—tribromide with DMF, a hydrolysis product of humid air, di-μ-hydroxido-bis­[di­bromido­(di­methyl­formamide-κO)ethyl­tin(IV)], was accidentally obtained. This report describes the structure of this hydrolysis product [Sn2Br4(C2H5)2(OH)2(C3H7NO)2] in which two octahedrally coordinated Sn atoms are linked together via two bridging hydroxide groups, resulting in a rhomboid-like shape with acute angles at the Sn atoms, obtuse angles at the O atoms, and two different Sn—O bond distances. This is the first structurally characterized monoorganotin(IV)–hydroxide–dihalide. See: Klecker & Reuter [Acta Cryst. E80, 522–526].

research communications


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In the structure of the title co-crystal, C3H3N3O2·C5H8N2, the components are linked by a set of directional O—H⋯N, N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds to yield a two-dimensional mono-periodic arrangement. The structure propagates in the third dimension by extensive π–π stacking inter­actions of nearly parallel mol­ecules of the two components, following an alternating sequence. The primary structure-defining inter­action is very strong oxime-OH donor to pyrazole-N acceptor hydrogen bond [O⋯N = 2.587 (2) Å], while the significance of weaker hydrogen bonds and π–π stacking inter­actions is comparable.

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In the title compound, mol­ecules are connected by inter­molecular C—H⋯S hydrogen bonds with [R_{2}^{2}](10) ring motifs, forming ribbons along the b-axis direction. C—H⋯π inter­actions consolidate the ribbon structure while van der Waals forces between the ribbons ensure the cohesion of the crystal structure.

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The synthesis, crystal structure and Hirshfeld analysis of cis-jasmone 4-ethyl­thio­semicarbazone are reported. The crystallographically independent mol­ecule shows disorder over the jasmone carbon chain and, in the crystal, the mol­ecules are linked by H⋯S and H⋯N inter­actions into mono-periodic hydrogen-bonded ribbons parallel to the b-axis.

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δ-Valerolactone was reacted with hydrazine hydrate in methanol affording crystals of 5-hy­droxy­penta­nehydrazide, which were characterized via single-crystal X-ray diffraction. The compound crystallizes in the ortho­rhom­bic space group Pca21 without any crystallization solvent. The hydrazide functional group shows C—N and C=O bond lengths measuring 1.3376 (17) Å and 1.2375 (16) Å, respectively.

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In the crystal structure of the title compound, discrete complexes with a rare Co coordination are found, in which the CoII cations are fivefold coordinated by two thio­cyanate anions and three 4-methyl­pyridine N-oxide coligands within a slightly distorted trigonal–bipyramidal coordination.

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The crystal structure is reported of the copper(II) complex with an amino acid Schiff base ligand synthesized from azo­benzene-salicyl­aldehyde, L-leucine and copper(II) acetate. The crystal structure features N—H⋯O hydrogen bonds.

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The structure of [Mo3S7(S2CNiBu2)3]26-S) features a μ6S22− anion asymmetrically wedged between two [Mo3S7(S2CNiBu2)3]+ cations with close μ6-S2−⋯S22− contacts that indicate significant covalency to the inter­actions.

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All three structures involve chains of mol­ecules linked by Au⋯halogen contacts; these are accompanied by hydrogen bonds or halogen⋯halogen contacts.

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Reaction of Co(NCS)2 with 4-methyl­pyridine N-oxide in methanol leads to the formation of Co2(NCS)4(4-methyl­pyridine N-oxide)4(methanol)2, in which the CoII cations are linked by pairs of μ-1,1-bridging 4-methyl­pyridine N-oxide coligands into centrosymmetric dinuclear units.

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A novel five-coordinate CoII complex based on two neutral ligands {tris­[(1-benzyl­triazol-4-yl)meth­yl]amine and imidazole} demonstrating a distorted trigonal bipyramidal geometry is presented.

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The title compound adopts an E configuration with respect to the C=N bond. In the crystal, the mol­ecules are connected by pairs of N—H⋯S inter­actions, forming rings with [R_{2}^{2}](8) graph-set motifs, and by pairs of C—H⋯S inter­actions, where rings with graph-set motif [R_{2}^{1}](7) are observed.

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In the crystal, mol­ecules are connected by N—H⋯N and C—H⋯N, and O—H⋯N and N–H⋯O hydrogen bonds, to each other directly and through water mol­ecules, forming layers parallel to the (001) plane. C—H⋯π inter­actions between these layers ensure the cohesion of the crystal structure.

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The two independent mol­ecules of C23H21BrN4O are closely similar and roughly planar except for the isopropyl groups. They are connected by hydrogen bonds of the types Namide—H⋯N≡C, Hphen­yl⋯O=C and Hphen­yl⋯Br.

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The structures of fourteen halochalcogenyl­phospho­nium tetra­halogenidoaurates(III) of general formula [R13-nR2nPEX][AuX4] (R1 = t-butyl; R2 = i-propyl; n = 0 to 3; E = S or Se; X = Cl or Br) are presented and compared.

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The title com­pound exhibits the typical rhomboid-like four-membered Sn–OH ring found in all dimeric mol­ecules of monoorganotin(IV)–dihalide–hydroxides, with acute bond angles at the Sn atom, obtuse bond angles at O atoms and shorter Sn—O bond lengths trans to the ethyl groups.

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The crystal structure of the title compound consists of 2[Ni3As2(OH)6/3O18/3O1/1(OH)1/1] layers extending parallel to (001) and exhibits disorder of the (O/OH) units of the (hydrogen)arsenate anion; the ammonium counter-cations are sandwiched between adjacent layers.

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The five-membered ring is slightly ruffled and dihedral angles between the pendant six-membered rings and the central, five-membered ring vary between 50.78 (4) and 86.78 (10)°. In the crystal, O—H⋯N hydrogen bonds and weak π-stacking inter­actions form inversion dimers, which are linked into chains extending along the c-axis direction by two sets of N—H⋯O hydrogen bonds. The chains are connected into layers parallel to the bc plane by two sets of C—H⋯π(ring) inter­actions.

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In the crystal, mol­ecules are linked by C—H⋯π inter­actions, forming ribbons along the a axis. Inter­molecular C—H⋯O hydrogen bonds connect these ribbons to each other, forming layers parallel to the (0[\overline{1}]1) plane. The mol­ecular packing is strengthened by van der Waals inter­actions between the layers.

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Two aniline-based tri­fluoro­methyl­sulfonate (tri­fluoro­methane­sulfonate) salts, N,2,4,6-tetra­methyl­anilinium tri­fluoro­methane­sulfonate and N-iso­propyl­idene-N,2,4,6-tetra­methyl­anilinium tri­fluoro­methane­sulfonate, were synthesized and characterized by single-crystal X-ray diffraction.

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In the complex [Pt(C9H6NO)Cl(C2H4)], ethyl­ene coordinates with PtII in the η2 manner and in the trans position compared to the coordinating N atom. The in vitro anti­cancer activity was investigated and DFT calculations were performed to support its anti­cancer activity.

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.

Emerging Sources Citation Index

Acta E is included in the Emerging Sources Citation Index.

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