issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

December 2016 issue

Highlighted illustration

Cover illustration: 6-Amino-5-nitro­pyridin-2(1H)-one crystallizes from water as a 1:1 complex of its neutral and deprotonated forms, and forms a `skinny' pyrimidine-pyrimidine pair. The pair resembles the known inter­calated cytosine pair. Implications of this structure for the use of this heterocycle in artificial DNA are discussed. See Matsuura, Kim, Takahashi, Abboud & Benner [Acta Cryst. (2016), C72, 952-959].

research papers


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In the structures of 11,11,12,12-tetra­cyano-2,6-di­iodo-9,10-anthraquinodi­methane (DITCAQ) and its 2:1 cocrystals with tetra­thia­fulvalene, pyrene, and anthracene, the saddle-shaped DITCAQ mol­ecule gradually transforms into a less bent geometry as the charge-transfer inter­actions between DITCAQ and the electron donors strengthens.

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4′-(Isoquinolin-4-yl)-2,2′:6′,2′′-terpyridine exhibits a short H⋯H contact, which an Atoms In Mol­ecules (AIM) analysis disclosed as attractive.

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In a cadmium(II)–organic supra­molecular coordination compound based on the multifunctional ligand 2-amino-5-sulfo­benzoic acid, inter­molecular hydrogen bonds link the mononuclear units into a novel threefold polycatenated two-dimensional (4,4) supra­molecular layer, which is further extended into a three-dimensional supra­molecular network through strong inter­layer hydrogen bonds. The complex exhibits an irreversible dehydration–rehydration behaviour and a weak blue fluorescence emission in the solid state.

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A novel two-dimensional polymeric silver(I)–diclofenac complex incorporating additional 2,5-di­methyl­pyrazine bridging ligands has been tested for its in vitro anti­bacterial activity and is determined to be highly effective on the studied microorganisms.

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6-Amino-5-nitro­pyridin-2(1H)-one crystallizes from water as a 1:1 complex of its neutral and deprotonated forms, and forms a `skinny' pyrimidine–pyrimidine pair. The pair resembles the known inter­calated cytosine pair. Implications of this structure for the use of this heterocycle in artificial DNA are discussed.

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In a novel one-dimensional linear coordination polymer, [Zn(BZI)2{Ag(CN)2}2]n (BZI is 1-benzyl-1H-imidazole), strong inter­molecular AgI⋯AgI inter­actions between adjacent chains provide a one-dimensional linear double-chain-like structure. The photoluminescence properties of the compound have been investigated.

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The metastable compound (H3O)3Sb2Br9 is the first Tl3Bi2I9 type representative comprising oxonium cations. The crystal structure comprises characteristic 2[SbBr3Br3/2] double layers of corner-sharing SbBr6 octa­hedra with a [001] stacking direction. Due to the small size of the H3O+ cation and O—H⋯Br hydrogen bonding, the octa­hedra are tilted.

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The hexa­methyl­ene­tetra­mine–2-methyl­benzoic acid (1/2) cocrystal undergoes a reversible second-order ferroelastic phase transition from the monoclinic low-temperature phase in the space group P21/c (≤164 K) to the ortho­rhom­bic high-temperature phase in the supergroup Pccn (≥165 K).

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For one inclusion compound with the same 2,2′-(disulfanedi­yl)di­benzoic acid (DTSA) and tri­methyl­amine components, three polymorphs were obtained at the same time, which is not normal for inclusion compounds. Studying the different polymorphs helps us to understand the packing modes of DTSA in crystal structures.

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Two new salicylaldiminate–magnesium complexes have been synthesized and structurally characterized. This study has shown that these specific systems are prone to ligand redistribution in solution and that the isolation of heteroleptic salicylaldiminate–magnesium amides is solvent dependent.

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In a new solvate of furosemide with di­methyl­acetamide (DMA), the channeled structure formed on slow crystallization contains DMA solvent mol­ecules in the channels. The furosemide mol­ecule exhibits high conformational lability due to the rotational flexibility of both the sulfamoyl and furan­ylmethyl­amino fragments. The current structure differs from other furosemide solvates in the number of solvent mol­ecules per furosemide mol­ecule.

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A new inorganic–organic coordination polymer based on ZnII cations and mixed multidentate N-donor 1-[(1H-benzimidazol-2-yl)meth­yl]-1H-tetra­zole (bimt) and bridging O-donor adipate ligands has been prepared and structurally characterized. The ZnII ions are connected by adipate ligands to generate a one-dimensional chain. The bimt ligands coordinate to the ZnII ions in a monodentate mode and are pendant on both sides of the main chain.

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The reaction of 4-[(2,2,2-tri­fluoro­eth­oxy)meth­yl]pyridine with HX (X = I or Cl) yielded new fluorous ponytailed pyridinium halide salts exhibiting two types of hydrogen bonds, namely N—H⋯X and C—H⋯X. In the IR spectra, the iodide salt exhibited a blue shift with respect to the pyridinium N—H stretching band compared to the chloride salt.

Special and virtual issues

Acta Crystallographica Section C is planning a special issue on

NMR Crystallography

The most recent special issue, published in November 2016, concerned

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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