issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

July 2014 issue

Highlighted illustration

Cover illustration: Polyhedral model of [U(SO4)2(H2O)5]·H2O, viewed down the a axis, showing the herringbone chain connectivity in the direction of the c axis. See Burns, Patrick, Lam & Dreisinger [Acta Cryst. (2014), C70, 726-731].

editorial


research papers


link to html
Both acetate and acetamide anions are well known as ligands, but why are there so few complexes with an acetamide as a chelon? A side-by-side comparison suggests these ligands could be viewed as different electronic versions of each other.

link to html
An iron(III) calix[4]pyrrolidine complex undergoes a slow phase transformation at ca 173 K from monoclinic space group P21/n to the maximal non-isomorphic subgroup, triclinic space group P\overline{1}, which is accompanied by nonmerohedral twinning. The NH H atoms are directed below the planes of the macrocycles and are hydrogen bonded to the coordinated Cl ions. There are also intra­molecular C—H⋯Cl hydrogen bonds present in both forms.

link to html
A lead(II) complex has been prepared by reaction of Pb(OAc)2·2H2O (OAc is acetate) with 2,2′-(diazene-1,2-di­yl)di­benzoic acid and 4,4′-bi­pyridine in MeOH–H2O at 363 K. Single-crystal X-ray diffraction analysis reveals that the complex possesses a three-dimensional framework with a 41263 topology.

link to html
In a new one-dimensional cobalt(II) coordination polymer with 2-(4-carb­oxy­phen­oxy)benzoate (Hoba) and 4,4′-bi­pyridine (bipy) ligands, the CoII ions are connected by bipy ligands to form an infinite one-dimensional chain. O—H⋯O hydrogen bonding extends these chains into a two-dimensional supra­molecular architecture.

link to html
In a centrosymmetric bis-substituted 2-bromo-4-chloro-6-{[(2-hy­droxy­eth­yl)imino]­meth­yl}phenolate copper(II) complex, the CuII centre is coordinated in a square-planar geometry and the hydrogen-bond network is built from infinite two-dimensional layers formed by O—H⋯O hydrogen bonds between hy­droxy­ethyl groups.

link to html
The crystal structures of three products of the reaction of 2-phenyl­phenol and BCl3 have been determined. The structures show intriguing packing patterns and an inter­esting case of pseudosymmetry. In addition, one of the two polymorphs has a primitive monoclinic crystal system, but it is twinned and emulates an ortho­rhom­bic C-centred structure.

link to html
Numerous charge-assisted hydrogen bonds and π–π inter­actions link the counter-ions of tetra­kis­(4-amino­pyridinium) perylene-3,4,9,10-tetra­carboxyl­ate octa­hydrate into a three-dimensional framework. From the viewpoint of topology, each anion acts as a 16-connected node by hydrogen bonding to six cations and ten water mol­ecules to yield a highly connected hydrogen-bonding framework.

link to html
In a hydrated cadmium chloride salt, the asymmetric unit comprises two N-protonated 5-amino-3-carb­oxy-4H-1,2,4-triazol-1-ium cations, half a [CdCl6]4− anion and two mol­ecules of water. Alternating layers of cations and anions are arranged along the [101] direction, forming a three-dimensional supra­molecular network via a combination of hydrogen-bonding and aromatic stacking inter­actions.

link to html
Two independent π–π stacking inter­actions link the mol­ecules of (E)-3-{4-[(7-chloro­quinolin-4-yl)­oxy]-3-meth­oxy­phenyl}-1-(4-methyl­phen­yl)prop-2-en-1-one, but hydrogen bonds are absent from the structure.

link to html
4-Nitro­benzene-1,2-di­amine and two hydro­halide salts exhibit extensive hydrogen bonding resulting in two- and three-dimensional networks. The structural results are used in conjuction with DFT calculations to estimate the strength of the N—H⋯O(nitro) inter­actions.

link to html
The crystal structures of two polymorphs of L-aspartic acid hydro­chloride revealed three- and two-dimensional hydrogen-bonding networks for the triclinic and ortho­rhom­bic polymorphs, respectively. The polymorphs share common structural features; however, the conformations of the L-aspartate cations and the crystal packings are different.

link to html
A chiral two-dimensional lead(II) coordination polymer containing right-handed helical chains has been prepared under hydro­thermal conditions using an achiral organic 3-carb­oxy­benzene-1,2-di­carboxyl­ate linker ligand. The thermogravimetric and optical properties are also reported.

link to html
Crystals of hexa-tert-butyl­disilane undergo a reversible phase transition at 179 (2) K. The space group changes from Ibca (high temperature) to Pbca (low temperature), but the lattice constants a, b and c do not change significantly during the phase transition. In a new polymorph of 1,1,2,2-tetra-tert-butyl-1,2-di­phenyl­disilane, two independent mol­ecules have rather similar conformations.

link to html
Coordination polymer chains built from CuII and adipate ions are linked into a framework structure by hydrogen bonds and π–π stacking inter­actions involving 2,2′-bi­pyridine and 1,1,3,3-tetra­cyano-2-eth­oxy­propenide components.

link to html
The crystal structure of 8-oxo-5,10,15,20-tetra­phenyl-7-oxaporphyrin N24-oxide is compared with its isomer, 8-oxo-5,10,15,20-tetra­phenyl-7-oxaporphyrin N22-oxide, carrying the N-oxide at the opposing nitro­gen, and the parent tetra­aryl­porphyrin N-oxide. A detailed conformational analysis reveals subtle differences in the nonplanar conformations of their chromophores.

link to html
In a CdII coordination polymer formed by 3,3′-thio­dipropionate and 4,4′-(propane-1,3-diyl)di­pyridine ligands, the CdII centres are bridged through carboxyl­ate O atoms and pyridine N atoms to form two different one-dimensional chains which intersect to form a two-dimensional layer. These two-dimensional layers are linked by S atoms to form a three-dimensional network.

link to html
A manganese(II) coordination polymer based on thiophene-3,4-dicarboxylate was synthesized hydrothermally. The thiophene-3,4-dicarboxylate ligand adopts a novel hexadentate chelating and μ5-bridging coordination mode.

link to html
A supra­molecular architecture based on C—H⋯Cl and π–π stacking inter­actions was obtained for a mononuclear MnII complex incorporating chloride and 2,5-bis­(2,2′-bipyridyl-6-yl)-3,4-di­aza­hexa-2,4-diene ligands.

link to html
A one-dimensional double-chain zinc(II) complex with phthalate and 2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]acetate (PPAA) ligands has been prepared by solvothermal reaction of 2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]aceto­nitrile (PPAN) with zinc(II), the PPAN being hydrolyzed to PPAA. The one-dimensional double chains are extended into a three-dimensional supra­molecular architecture via hydrogen-bonding and π–π stacking inter­actions.

link to html
Two new uranium(IV) sulfate x-hydrates, where x is the total number of coordinated plus solvent waters, have been characterized and compared to other known uranous sulfate x-hydrates. As the number of coordinated waters increases, the structure transitions from being fully crosslinked through sulfate bridging in three dimensions in the anhydrous compound, through sheet and chain linking in the tetra- and hexahydrate, to fully unlinked molecules in the octa- and nonahydrate.

Special and virtual issues

Acta Crystallographica Section C is planning special issues on

The Structural Chemistry of Homogeneous and Heterogeneous Catalysts

NMR Crystallography

Full details are available on the special issues page.

The latest virtual issue, featuring Coordination polymers and with an introduction by Len Barbour, was published in July 2014.

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