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Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

January 2021 issue

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Cover illustration: Substituted methoxyphenyl)piperazines have been used as building blocks to obtain ligands and derivatives for drugs and other compounds of biological interest. Against this background, six new 1-halobenzoyl-4-(2-methoxyphenyl)piperazines have been synthesized and their molecular and crystal structures systematically analysed. The present paper especially focuses on the supramolecular patterns formed through C-H...O and C-H...[pi] interactions and rationalises the different values of Z' with the dimensionality of the hydrogen-bond networks formed. See: Harish Chinthal, Kavitha, Yathirajan, Foro & Glidewell [Acta Cryst. (2021). E77, 5-13].

research communications


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The reaction of 1,5-di­bromo­pentane with urotropine results in crystals of the title mol­ecular salt, 5-bromo­urotropinium bromide, crystallizing in space group P21/n. The packing is directed mainly by H⋯H van der Waals inter­actions and C—H⋯Br hydrogen bonds, as revealed by Hirshfeld surface analysis.

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Among six closely related 1-halobenzoyl-4-(2-meth­oxy­phen­yl)piperazines, those with Z′ = 1 form one-dimensional hydrogen-bonded assemblies, those with Z′ = 2 form two-dimensional hydrogen-bonded assemblies, and that with Z′ = 4 forms a three-dimensional hydrogen-bonded assembly. Pseudosymmetry and inversion twinning are apparent when Z′ > 1.

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The structure of a nickel(II) terephthalate complex, viz. tetra­aqua­bis­(pyridine-3-carbo­nitrile)­nickel(II) benzene-1,4-di­carboxyl­ate tetra­hydrate is described.

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The di­hydro­quinoxaline moiety in the title compound is not planar. In the crystal, C—H⋯O hydrogen bonds form helical chains about the crystallographic 21 axes. The chains pack with normal van der Waals contacts.

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In the title pyridazinone derivative, the chloro­phenyl and pyridazinone rings being almost perpendicular, while the phenyl ring of the styryl group is coplanar with the pyridazinone ring. In the crystal, N—H⋯O hydrogen bonds form inversion dimers with an R_{2}^{2}(8) ring motif and C—H⋯Cl hydrogen bonds also occur.


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The hydrogen-bonded assembly of 3-amino-1H-pyrazol-2-ium 3,5-di­nitro­benzoate monohydrate and bis­(3-amino-1H-pyrazol-2-ium) fumarate fumaric acid is two-dimensional, but that in the ortho­rhom­bic form of the simple salt 3-amino-1H-pyrazol-2-ium nitrate is three-dimensional.

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The title compound, [Cu4Cl6O(C13H9N)4], was obtained by the reaction of CuCl with 4-phenyl­ethynyl­pyridine in di­chloro­methane. The complex contains a tetra­hedron of four CuII cations coordinated to a central μ4-O atom, with the six edges of the Cu4 tetra­hedron bridged by Cl atoms. The Cu—O distances average 1.905 Å and Cu—Cl 2.418 Å.

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A short [2.592 (3) Å] intra­molecular N—H⋯O hydrogen bond leads to an S(6) graph-set motif. Inter­molecular π–π stacking and C—O⋯π inter­actions dominate the crystal packing.

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The steric requirement resulting from the substituted methyl or phenyl group at the ortho-position of the coordinating quinoline-N atom in 8-(di­phenyl­phosphan­yl)quinoline enforces the square-planar coordination geometry of the di­chlorido­palladium(II) center to be highly distorted.

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Common features in the crystal structures of [Al(H2O)6](SO4)NO3·2H2O and [Al(H2O)6](SO4)Cl·H2O are [Al(H2O)6]3+ octa­hedra and sulfate tetra­hedra. These components, the remaining anion (NO3 and Cl, respectively) and lattice water mol­ecules are separated from each other. Inter­actions are mediated via medium–strong hydrogen bonding.

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A single-crystal X-ray diffraction study of K2Mg3(OH)2(SO4)3(H2O)2 revealed the locations of all H atoms and hence a revised hydrogen-bonding scheme in comparison with a previous powder X-ray diffraction study.

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The phenyl rings are almost oriented perpendicularly. In the crystal, inter­molecular O—HOxm⋯NOxm, O—HHydr⋯OHydr, O—H′Hydr⋯OHydr and O—HOxm⋯OHydr hydrogen bonds link the mol­ecules into infinite chains along the c-axis direction.

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The synthesis, structure, and theoretical studies of a calcium complex of a unique dianion derived from N-methyl-2-pyrrolidine are explored.

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The crystal structure of the natural product lawinal is reported. The compound crystallizes with monoclinic (I2) symmetry and with Z′ = 2.

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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