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Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

June 2021 issue

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Cover illustration: Not all space-group symmetries are common, indeed some are exceedingly uncommon. 3,6-Dihydroxypicolinic acid, C6H5NO4, forms crystals with an unusual space group of type Abm2. In the structure, layers of hydrogen-bonded molecules extend parallel to the ac plane. It also exhibits whole-molecule disorder and minor twinning by inversion. See: Berman & Parkin [Acta Cryst. (2021). E77, 623–628].

research communications


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The crystal structure of magnesium zinc divanadate can be described by an alternate stacking of V2O7 layers and (Mg/Zn) atom layers. Each V2O7 layer consists of a V2O7 dimer and a V4O14 tetra­mer.

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The structure of KHBEt3 is polymeric, involving chains linked by K—H—K motifs via the hydridic hydrogen.

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The conformation of the title compound is partially determined by a strong, intra­molecular O—H⋯O hydrogen bond. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules, forming chains along the a-axis direction, which are linked into strongly corrugated sheets parallel to the ac plane by C—H⋯O hydrogen bonds and C—H⋯π(ring) inter­actions. The sheets are associated through additional C—H⋯π(ring) inter­actions.

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In the crystal, O—H⋯N and N—H⋯O hydrogen bonds link pairs of mol­ecules via two methanol mol­ecules. These mol­ecules are connected to each other by C—H⋯N hydrogen bonds and form columns along the a-axis direction.

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The title compound, which crystallizes in the monoclinic C2/c space group with one half-mol­ecule in the asymmetric unit, was synthesized by Suzuki–Miyaura cross-coupling reaction of 9-bromo­anthracen-2-ylium with pyridin-4-ylboronic acid.

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The title compound, C30H23KO8S2, contains one mol­ecule of (E)-2-{4-[3-(thio­phen-3-yl)acrylo­yl]phen­oxy}acetic acid and one mol­ecule of its potassium salt in the asymmetric unit. The distorted KO6 octa­hedra share edges, resulting in chains running in the [010] direction.

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The N-substituents lie on opposite sides of the pyrazole ring. Inter­molecular hydrogen bonds from the amino group to an S=O group and to the oxo substituent lead to a layer structure.

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N-H, N-phenyl and N-benzyl-2-(4-hexyl­oxyphen­yl)benzimidazoles were prepared and studied by 1H NMR and single-crystal X-ray analysis. The unsubstituted benzimidazole forms inter­molecular N—H⋯N bonds while in the crystal structures of the other two compounds, the mol­ecules are assembled only through π–π and C—H⋯π inter­actions.

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A two-step synthesis of 3,6-di­hydroxy­picolinic acid, its crystal structure and that of a labile inter­mediate, are described.

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N—H⋯Cl hydrogen bonds link two di­hydro­quinazolinium cations and a tetra­chlorido zincate dianion into discrete aggregates. Neighbouring (C12H15N2)2[ZnCl4] units inter­act via non-classical C—H⋯π hydrogen bonds and π–π stacking.

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The structure of Ba5(IO6)2 has been redetermined at two different temperatures, namely 298 and 80 K, with a high crystalline single-crystal. In comparison with previous determinations based on powder diffraction patterns, the present redetermination results are of greatly improved precision of the structural parameters. The ambiguity of the space-group assignment was eliminated with three-dimensional patterns from a single-crystal sample.

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The title mol­ecule adopts an angular conformation. In the crystal, N—H⋯O and N—H⋯N hydrogen bonds together with C—H⋯π(ring) inter­actions form chains extending along the a-axis direction. Additional N—H⋯O hydrogen bonds link the chains into layers parallel to (100).

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The di­hydro­quinoxaline moiety, with the exception of the N atom, is essentially planar with the attached phenyl ring inclined to it by 11.64 (6)° and the inner part of the methyl­propano­ate group nearly perpendicular to it. In the crystal, inversion dimers formed by C—H⋯O hydrogen bonds are connected into oblique stacks by π-stacking and C—H⋯π(ring) inter­actions.

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The crystal structure of μ-methyl­ene-bis­[(di­bromo)(diethyl ether-κO)aluminium(III)] has established that the Al—CH2—Al angle, 118.4 (2)°, is the smallest observed for structure where this moiety is not part of a ring.

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The photoreactive behaviour of the title compound, C20H23NO2, was investigated. Solid-state photoreaction did not occur in the solid-state but it occurred in aceto­nitrile solution.

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The title compound, C22H18N2O2, is a Schiff base that exists in the phenol–imine tautomeric form and adopts an E configuration. The mol­ecular structure is stabilized by an O—H⋯N hydrogen bond, forming an S(6) ring motif.

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The title mol­ecule adopts a conformation with the two phenyl substituents disposed on opposite sides of the mean plane of the iso­quinoline unit. In the crystal, corrugated layers of mol­ecules are formed by N—H⋯O, C—H⋯N and C—H⋯S hydrogen bonds together with C—H⋯π(ring) inter­actions. These layers are connected by C—H⋯O contacts.

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The structure of the title ocyacopper cluster contains two C16H18Cu4F18O4 units linked through a center of inversion by weak Cu—O bonds.

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The mol­ecular structure of the newly synthesized dye (E)-1-[2-(5-chloro-2-hy­droxy­phen­yl)hydrazinyl­idene]naphthalen-2(1H)-one was determined by X-ray diffraction at 173 K. The asymmetric unit of the title contains two crystallographically independent mol­ecules, which adopt an s-trans conformation.

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In the title complex, [Cu(C22H44N4)(H2O)2][Cu(C22H44N4)]Br4·2H2O, each of the two complex cations lies about an inversion center. The two macrocyclic rings adopt the most stable trans-III configuration. In the crystal, O—H⋯Br, N—H⋯Br, N—H⋯O and C—H⋯O hydrogen bonds connect the complex cations, bromide anions, semi-coordinating H2O ligands and water solvent mol­ecules, forming a one-dimensional network extending parallel [100].

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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