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Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

December 2020 issue

Highlighted illustration

Cover illustration: Several polymorphs, co-crystals and hydrates have been reported for the non-steroidal anti-inflammatory drug sodium diclofenac sold under the brand names Voltaren and Ecofenac. A less hydrated triclinic form with 3.5 water molecules per sodium diclofenac is now added to this list. In this crystal structure, one diclofenac molecule is hydrogen bonded to water molecules, while the other diclofenac molecule in the asymmetric unit is bridging Na+ ions of a unique Na/O/H2O cluster. See: Angel Nieto, Bernès & Pérez-Benítez [Acta Cryst. (2020). E76, 1846-1850].

research communications


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The title acyclic meta-bromo substituted imide derivatives were synthesized in good yields from condensation reactions of 3-bromo­benzoyl chloride with 2-amino­pyridine or 2-amino­pyrimidine using standard condensation reaction conditions and subsequent column chromatography.

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The title mol­ecules were synthesized by the reaction of the corresponding sodium benzoate with chloro­acetic acid amide. Single crystals were obtained from the reaction products under the same conditions.

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The title dihalogenated salicyl­aldehyde derivative has been studied for its anti­bacterial characteristics. The salicyl­aldehyde engages in intra­molecular hydrogen bonding at a distance of 2.6231 (19) Å while the mol­ecules pack together via weak inter­molecular C—H⋯O, C—H⋯F and F⋯O inter­actions and offset face-to-face π-stacking.

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Owing to the intra­molecular steric hindrance between the mutually cis-positioned 8-(di­methyl­phosphan­yl)quinoline (Me2Pqn) ligands, the nickel(II) complex of cis-[Ni(Me2Pqn)2]2+ shows a remarkable tetra­hedral distortion of the NiII coordination geometry. In contrast, the corresponding platinum(II) complex of cis-[Pt(Me2Pqn)2]2+ exhibits a typical square-planar PtII coordination center, but large envelope-type distortions of the five-membered chelate planes are observed.

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The title compound, a rearrangement product of an o-pyridinyl anthracenyl isoxazole ester, features a bicyclic acetal structure, which has two extended almost co-planar ring systems, which subtend a fold angle of 102.17 (5)°. In the crystal, the mol­ecules are closely knitted together through C—H⋯N and C—H⋯O hydrogen bonds and form chains of alternating enanti­omers propagating along the c-axis direction.

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A third monoclinic polymorph of 2,6-di­meth­oxy­bnzoic acid is reported. The acidic O—H bond of the carboxyl group adopts a synplanar conformation.

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In the title compound, inter­molecular C—H⋯π inter­actions and π–π stacking inter­actions help to stabilize the crystal structure, forming a three-dimensional network.

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The crystal structure of the title compound is stabilized by the presence of weak C—H⋯N hydrogen bonds and slipped π–π inter­actions. Hirshfeld surface analysis showed that H⋯H contacts are the dominant inter­actions.

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The crystal structures are reported of the 6,6-di­fluoro-6H-dibenzo[c,e][1,2]oxaborinin-6-ide (or 9,9-di­fluoro-10-oxa-9-boraphenanthren-9-id)anion with two different cations, namely, potassium 6,6-di­fluoro-6H-dibenzo[c,e][1,2]oxaborinin-6-ide featuring a polymeric structure, and bis­(tetra­phenyl­phospho­nium) bis­(6,6-di­fluoro-6H-dibenzo[c,e][1,2]oxaborinin-6-ide) aceto­nitrile tris­olvate, which is composed of discrete cations, anions and aceto­nitrile solvent mol­ecules linked by C—H⋯O, C—H⋯N and C—H⋯F hydrogen bonds.

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The title compound, [Ni(NCS)2(C5H12N2S)2], consists of discrete complexes with a distorted all-trans square-planar coordination geometry that are linked by inter­molecular C—H⋯S hydrogen bonds into corrugated layers parallel to the ac plane.

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The crystallization of a new hydrated form of sodium diclofenac was achieved, with the anions surrounding an [Na4]4+ cationic cluster formed with water mol­ecules and carb­oxy­lic O atoms.

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The title N-tosyl­ated secondary vinyl­amine was obtained by alkaline treatment of 1,5-bis­(1-phen­oxy)-3-aza­pentane at moderate heating. Theoretical predictions suggest that the title compound could inhibit gluconate 2-de­hydrogenase (85% probability), as well as to act as a mucomembranous protector (73%).

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Acetamino­phen assists as a co-former in the crystallization of hexa­methyl­ene­tetra­mine carboacetamino­phenborane, which may otherwise be challenging to form a crystal itself.

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The single-crystal X-ray structure of trans-bis­(pyridin-3-yl)ethyl­ene (3,3′-bpe) is reported. Integrity between neighboring mol­ecules in the solid state is maintained by an array of C—H⋯N hydrogen bonds and edge-to-face C—H⋯π inter­actions.

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The title compounds represent the most hydrated thulium nitrates known so far. Both structures consists of mol­ecular [Tm(NO3)3(H2O)4] complexes and additional water mol­ecules, which are inter­connected by medium-strong to weak hydrogen bonds.

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The synthesis and characterization of a new mandelato ZnII complex with 1,2-bi(4-pyrid­yl)ethane is reported. The Zn cation is coordinated by two N atoms from the 1,2-bi(4-pyrid­yl)ethane unit and four O atoms from two mandelate anions in a slight distorted octa­hedral coordination geometry.

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Six potassium rare-earth molybdates KRE(MoO4)2 (RE = Tb, Dy, Ho, Er, Yb, and Lu) were synthesized by flux-assisted growth in K2Mo3O10. The crystal structures were determined using single-crystal X-ray diffraction data. The synthesized molybdates crystallize within the ortho­rhom­bic Pbcn space group (No. 60). The unit-cell parameters a and c increase linearly whereas b decreases with larger RE cations, based on crystal radii. The unit-cell volumes increase linearly and the densities decrease linearly with larger RE cations.

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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Acta E is included in the Emerging Sources Citation Index.

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