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Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

February 2016 issue

Highlighted illustration

Cover illustration: Reaction pathway calculations reveal that 1,1'-(ethyl­ene-1,2-di­yl)dipyridinium dichloride dihydrate and 1,1'-(ethyl­ene-1,2-di­yl)dipyridinium dibromide, whose structures were determined by powder X-ray diffraction, are formed by successive SN2 reactions beginning with pyridine and the appropriate 1,2-dihalo­ethane. See Rukiah, Al-Ktaifani & Sabra [Acta Cryst. (2016), C72, 112-118].

research papers


Acta Cryst. (2016). C72, 94-98
doi: 10.1107/S205322961502433X
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Substituted benzoic acid and cinnamic acid esters are of inter­est as tyrosinase inhibitors. In the amide-based intermediate N-(4-acetyl­phen­yl)-2-chloro­acetamide, the acetyl­phenyl ring and the N—(C=O)—C unit of the acetamide group are almost coplanar. Instead of esterification, a cheaper and more efficient synthetic method has been developed for the preparation of 2-(4-acetyl­anilino)-2-oxoethyl cinnamate, in which the acetamide and cinnamate groups are also almost planar. N—H⋯O, C—H⋯O and C—H⋯π inter­actions link mol­ecules of both compounds into three-dimensional networks.

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Two d10 coordination polymers of ZnII and CdII have been synthesized from a flexible 4,4′-(1,4-phenylenedioxy)bis(benzene-1,2-dicarboxylate) ligand and two different N-containing auxiliary ligands through a mixed-ligand synthetic strategy under a solvothermal environment. Both compounds present one-dimensional chain structures and two-dimensional supramolecular layer structures constructed through weak hydrogen bonds.

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The anhydrous morpholinium salts of the ring-substituted benzoic acid analogues salicylic acid, 3,5-di­nitro­salicylic acid, 3,5-di­nitro­benzoic acid and 4-nitro­anthranilic acid provide two examples of one-dimensional hydrogen-bonded chain polymers, one of a two-layered ribbon structure and one of a discrete cyclic hydrogen-bonded hetero­tetra­mer.

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Reaction pathway calculations reveal that 1,1′-(ethyl­ene-1,2-di­yl)dipyridinium dichloride dihydrate and 1,1′-(ethyl­ene-1,2-di­yl)dipyridinium dibromide, whose structures were determined by powder X-ray diffraction, are formed by successive SN2 reactions beginning with pyridine and the appropriate 1,2-dihalo­ethane.

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Discrete binuclear copper(II) and tetranuclear cad­mium(II) complexes containing deprotonated N-[2-(2-hy­droxy­benzo­yl)hydrazinecarbono­thio­yl]propanamide ligands are connected by hydrogen bonds and van der Waals inter­actions to form three-dimensional supra­molecular architectures. The different coordination modes may be attributed to the larger ionic radius of the CdII ion compared with the CuII ion.

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Based on its potent physiological activities, the citrus flavonoid nobiletin has become an attractive candidate for use as a therapeutic agent. The crystal structure analysis revealed it to be conformationally chiral because of the conformational arrangement of the four meth­oxy groups bound to the chromene ring of the flavone moiety.

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ZnII ions are connected by 4,4′-bi­pyridine ligands to form a one-dimensional zigzag chain and the chains are decorated with anionic 3-nitro­benzoate ligands which inter­act further through aromatic π–π stacking inter­actions, expanding the structure into a threefold inter­penetrated two-dimensional supra­molecular architecture.

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Reactions of benzene-1,4-di­carb­oxy­lic acid (H2BDC) and pyridine (py) with ZnII or CoII yielded a two-dimensional ZnII and a one-dimensional CoII coordination polymer. In the former, centrosymmetric paddle-wheel-like Zn22-COO)4 units are linked by benzene rings to generate a two-dimensional layered structure. The latter displays a one-dimensional double-chain structure based on Co22-COO)2 units.

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The crystal structure of CB-TE2A+·Cl·3H2O is reported together with its comparison to closely related structures. The reason the macrocycle forms complexes with copper ions slowly is discussed.

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A CoII dimer is described with an unreported two-dimensional supra­molecular topology formed from deprotonated trimesic acid and tri­ethanol­amine ligands. Four classical hydrogen bonds between carboxyl­ate groups and hy­droxy­ethyl arms stabilize and extend the zero-dimensional mol­ecules into a two-dimensional supra­molecular network. A variable-temperature magnetic study shows the existence of anti­ferromagnetic behaviour in the complex.

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In a new one-dimensional zigzag polymeric CuII complex based on bridging bis(salicylidene)propylenediamine-type Schiff base and dicyanamide ligands, the chelating characteristics of the Schiff base ligand result in the formation of a CuII dimer with a double phenolate bridge in the asymmetric unit.

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Although organic amides are often thought of as being nonbasic and hence non-ionizable, it is possible to protonate them using strong acids and to isolate their salt forms in the solid. We present here the structures of three salt forms of the pharmaceutically relevant amide di­hydro­carbamazepine and compare their mol­ecular and supra­molecular structures with those of di­hydro­carbamazepine and carbamazepine analogues.

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Salicyl­hydroxamic acid is known for its strong coordination ability and multiple coordination modes. In a structure based on the salicyl­hydroxamate ligand, salicyl­hydroxamate(3−), acetate, hydroxide and oxide ligands adopt complicated coordination modes and link six NiII and two MoVI cations into an octa­nuclear heterometallic cluster. Studies of the magnetic properties reveal anti­ferromagnetic inter­actions between the NiII cations.

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In the two-dimensional sodium(I) coordination polymer incorporating 4,4′-(diazenedi­yl)bis­(1H-1,2,4-triazol-5-one) (ZTO), each Na+ metal centre is bridged to a neigbouring Na+ cation by two water molecules to give a one-dimensional [Na(H2O)2]n chain. The ZTO2− ligand, an O atom of which also bridges the same pair of Na+ cations, then crosslinks these chains to form two-dimensional sheets. The two-dimensional sheets are further connected by inter­molecular hydrogen bonds.

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Two one-dimensional CoII coordination polymers based on N,N′-bis­(pyridin-3-yl)oxalamide have been assembled by the solvothermal method. Single-crystal X-ray diffraction analyses reveal that the two compounds are supra­molecular isomers, the isomerism being induced by the orientation of di­methyl­formamide mol­ecules in the crystal lattice.

Special and virtual issues

Acta Crystallographica Section C is planning special issues on

NMR Crystallography

Scorpionates: a golden anniversary

Full details are available on the special issues page.

The latest virtual issue features Coordination polymers, with an introduction by Len Barbour.

What are the 'most read' articles from the recent special issues?

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