issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

April 2015 issue

Highlighted illustration

Cover illustration: In crystals of the new ionic complex [Ni(ac)(5,5'-dmbpy)2]ClO4·H2O (where 5,5'-dmbpy is 5,5'-dimethyl-2,2'-bi­pyridine and ac is acetate), neighbouring complex cations are linked by [pi]-[pi] inter­actions forming zigzag chains. The magnetism of the complex at low temperature is dominated by single-ion anisotropy. See Farkasová, Cernák, Falvello, Orendác & Boca [Acta Cryst. (2015), C71, 252-257].

research papers


link to html
In two inclusion compounds of di­thio­biurea and tetra­propyl­ammonium and tetra­butyl­ammonium, the dithiobiurea anions, which form dimers via N—H⋯N hydrogen bonds in one, are linked via N—H⋯S interactions to produce one-dimensional chains.

link to html
Differential scanning calorimetry (DSC) measurements show that 2-carb­oxy­pyridinium perchlorate–pyridinium-2-carboxyl­ate (1/1) undergoes a reversible phase transition at about 261.7 K, with a wide heat hysteresis of 21.9 K. The lower-temperature polymorph (223 K) crystallizes in the space group C2/c, while the higher-temperature polymorph (T = 296 K) crystallizes in the space group P2/c. The relationship between these two phases can be described as: 2aRT = aLT; 2bRT = bLT; cRT = cLT.

link to html
In crystals of the new ionic complex [Ni(ac)(5,5′-dmbpy)2]ClO4·H2O (where 5,5′-dmbpy is 5,5′-dimethyl-2,2′-bi­pyridine and ac is acetate), neighbouring complex cations are linked by π–π inter­actions forming zigzag chains. The magnetism of the complex at low temperature is dominated by single-ion anisotropy.

link to html
A new silver(I) coordination polymer has been prepared by the reaction of AgNO3 with 4-amino­phenyl­arsonic acid and tri­phenyl­phosphane. The compound possesses a two-dimensional (4,4)-network, with a dinuclear [Ag2O2N2P2] unit as a four-connected node and 4-amino­phenyl­arsonate as a linker.

link to html
The crystal structure of racemic tetra­hydro­berberine, a pharmacologically active alkaloid, shows inter­molecular 1,3-benzodioxole –CH2⋯OCH3 and –OCH3⋯OCH3 inter­actions.

link to html
A second polymorph of the hydro­chloride salt of the recreational drug ethyl­one appears in crystallizations performed above 308 K. The ions are linked into enanti­opure chains by N—H⋯Cl hydrogen bonds. A lack of discrimination between enanti­omorphs in the packing of adjacent chains leads to inversion twinning.

link to html
The coordination of proline to CuII leads to unexpected carboxyl­ate bridging and a chain polymer, rather than the much more common N,O-chelation adopted by amino acids.

link to html
The conformational flexibility of the glutaric acid mol­ecule results in the formation of two polymorphs of the 1:1 cocrystal of pyrimidin-2-amine and glutaric acid and is also responsible for the colouring of the cocrystals. The crystallization of cocrystals and a cocrystal–salt from the same solvent mixture supports the idea of a cocrystal–salt continuum in the liquid state.

link to html
The cocrystalline adduct of 1,8,10,12-tetra­aza­tetra­cyclo[8.3.1.18,12.02,7]penta­decane and 4-nitro­phenol crystallizes via proton transfer and strong inter­molecular hydrogen bonds. This is the first example of a proton-transfer adduct containing anionic 4-nitro­phenolate and aza­adamantane structures.

link to html
A homochiral helical three-dimensional coordination polymer was synthesized by the reaction of cadmium acetate and N-(1H-tetra­zol-5-yl)isonicotinamide. The most striking feature of the structure is the presence of two different homochiral metal–tetra­zole helices with a coaxial 61 screw axis.

link to html
A monoclinic polymorph of dendocarbin A has been isolated from Drimys winteri and displays an identical mol­ecular structure to the previously reported ortho­rhom­bic phase, while varying significantly in chain pitch, and can thus be considered as a borderline case of one-dimensional isostructural polymorphism.

link to html
The AuIII atoms in the cationic pseudo-square-planar complex tetra­kis­(1-methyl-2,3-di­hydro-1H-imidazole-2-thione-κS)gold(III) trichloride sesquihydrate reside at the corners of the unit cell on an inversion center and are bound by the S atoms of four methimazole ligands in a planar arrangement, with S—Au—S bond angles of approximately 90°.

link to html
The crystal structures of three isotypic one-dimensional polymeric complexes with Y and Gd cations, but-2-enoate anions, and 4,4′-(ethane-1,2-di­yl)di­pyridine and 4,4′-(ethene-1,2-di­yl)di­pyridine bridging ligands are analysed. There are intra-chain and inter-chain hydrogen bonds in the structures, the former providing cohesion of the linear arrays and the latter promoting the formation of broad planes parallel to (010).

link to html
A novel inorganic–organic coordination polymer based on ZnII cations with mixed multidentate N-donor 1-[(1H-benzoimidazol-2-yl)meth­yl]-1H-tetra­zole and μ4-bridging O-donor glutarate ligands has been prepared and structurally characterized. Two ZnII ions are linked by four bridging glutarate carboxyl­ate groups to generate a dinuclear [Zn2(CO2)4] paddle-wheel unit. The dinuclear units are further connected into a one-dimensional chain via the glutarate ligands.

link to html
Calcium bromide and proline assemble into two extended solids of very different topologies. Chirality matters as reaction with racemic proline leads to a chain polymer, whereas the enanti­opure amino acid gives a two-dimensional layer structure with unusual CaBr2 dumbbells.

link to html
In a new one-dimensional cadmium–thio­cyanate complex, the thio­cyanate ligands play different roles in the build up of the structure; one role results in the formation of [Cd2(NCS)2] building blocks, while the other links the building blocks and cations via N—H⋯S hydrogen bonds.

link to html
The diastereo­selectivity of the chemical reaction involving α-diazoesters and isatin imines in the presence of benzyl alcohol is confirmed through the relative configuration of the two stereo­genic centres. The diastereo­selectivity is possibly aided by intramolecular N—H⋯O hydrogen bonding and possible π–π inter­actions.

link to html
The structures of two isostructural diarsenates, SrZnAs2O7 and BaCuAs2O7, consist of corner-sharing M2O5 (M2 = Zn or Cu) square pyramids and diarsenate (As2O7) groups forming a three-dimensional open framework, which contains two types of tunnels filled with large divalent M1 (M1 = Sr or Ba) cations. Geometrical characteristics of the coordination polyhedra and the conformation of the As2O7 groups for a family of isostructural diarsenates, viz. M1IIM2IIAs2O7 (M1II = Sr, Ba, Pb; M2II = Mg, Co, Cu, Zn), which crystallize in the space group P21/n, are presented.

link to html
The bond-angle sums at the N atoms are analysed for structures with a P(S)[N]3 skeleton having the N atom in a [P]N[X][Y] environment, considering a new structure and also structures deposited in the Cambridge Structural Database.

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?

Follow Acta Cryst. C
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds