issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

November 2000 issue

Highlighted illustration

Cover illustration: Packing diagram for the low-temperature phase of tetraphenylphosphonium perchlorate. All Ph4P+ cations are crys­tal­lographically identical. Ellipsoids are shown at the 50% probability level. See Batten, Harris & Murray [Acta Cryst. (2000), C56, 1394-1395].

inorganic compounds


link to html
Precise X-ray and neutron structural determinations of Na2Fe(CN)5(NO)·2D2O performed at very low temperatures are presented. The X-ray and neutron diffraction positional and atomic displacement parameters agree very well. The [Fe(CN)5(NO)]2− anion has approximate octahedral stereochemistry.

link to html
BiV0.4FeIII3O(PO4)3 exists as a branched polymeric chain of Fe atoms singly or doubly bridged by oxo and phosphate O atoms, in between which are found Bi sites.

link to html
In the title compound, octahedrally coordinated vanadium and tetrahedral sulfate ions share corners to form layers that are held together by hydrogen bonds and by sodium ions, which are located between the layers.

metal-organic compounds

















organic compounds





























electronic papers (metal-organic compounds)


link to html
The cation of the title compound displays a rhomboidal geometry for the Au atoms, with short Au⋯Au distances of 3.104 (2) and 3.185 (1) Å. The anion shows the expected square-planar geometry at AuIII, with the Au atom 0.022 (5) Å out of the plane of the four donor atoms.

link to html
In the title complex, the Cu atom, which is located on an inversion centre, is in the centre of a distorted octahedral geometry, with six O atoms provided by two monodentate carboxyl­ate groups and four water mol­ecules. Intra- and intermolecular hydrogen bonds make up a three-dimensional network.

link to html
The previously reported title compound (R = 0.12, one of water mol­ecules disordered) has been redetermined (R = 0.041, no disorder). The complex has pseudo-octahedral geometry around the FeIII atom. There is extensive hydrogen bonding involving the water mol­ecules and the hydro­xamate ligands.

link to html
The title compound, prepared in the course of synthetic studies of organochalcogenide compounds of PdII, has bridging chloro and aryl­thiol­ato groups, with the phosphines being trans to the bridging chloro group. The four-membered metallocyclic Pd2ClS ring is unexpectedly non-planar, with a dihedral angle of 133.8 (1)° between the PdCl2SP coordination planes.

link to html
The preparation and crystal structure of the title complex are described. The ZnII ion adopts a distorted tetrahedral coordination. It is bonded to two thio­cyanate and two pyridyl N atoms.

link to html
The structure of the title compound is the first example of an addition compound of GeCl4 with two aromatic nitro­gen bases. The environment around the Ge atom can be described as a slightly distorted octahedron with the 4-methyl­pyridine ligands occupying axial positions and the four chloro ligands in the equatorial plane. The structure of the title compound is isomorphous with the corresponding silicon halides.

link to html
The reactions of GeBr4 with 4-methyl­pyridine and 3,4-di­methyl­pyridine lead to tetra­bromo­bis(4-methyl­pyridine)­germanium, (I>), and tetra­bromo­bis(3,4-di­methyl­pyridine)­germanium, (II>), respectively. These structures show the same features as the corresponding silicon complexes.

link to html
The title copper complex has a center of symmetry and a distorted octahedral coordination, with four N atoms in equatorial positions and water mol­ecules in the apical sites. The water mol­ecule of crystallization is hydrogen bonded to the deprotonated carboxyl­ate group of the ligand.

link to html
The title compound is a new open-framework zinc arsenate, which is isostructural with the zinc phosphate UiO-17. The open three-dimensional anionic framework, made up of vertex-sharing AsO4 tetrahedra, ZnO4 tetrahedra and ZnO5 trigonal bipyramids, contains a two-dimensional eight-ring channel system in which diprotonated piperazinium cations reside.

link to html
The title compound crystallizes as a monomer, with the copper ion in a pentacoordinated square-pyramidal environment, bisected by a twofold axis passing through the metal atom and the apex. The mol­ecules organise in chains connected by hydrogen bonds running along the unique b axis.

electronic papers (organic compounds)


link to html
In the title adduct, fumaric acid has a centre of symmetry and is connected to two trans-cinnam­amide mol­ecules through cyclic hydrogen bonds. A single-crystal photoirradiation promoted the conformational disorder of the fumaric acid.

link to html
In the two title adducts, (I>) and (II>), respectively, the di­carboxyl­ic acid is connected to two cinnam­amide mol­ecules through cyclic hydrogen bonds. The arrangement of the C=C bonds of neighbouring cinnam­amide mol­ecules is twisted.

link to html
In the title adduct, a hydrogen-bonded unit of the acid and two cinnam­amide mol­ecules has a crystallographic twofold axis parallel to b, and the acid molecules are linked by cyclic hydrogen bonds to form a flat zigzag along c.

link to html
In the title compound, the tosyl­oxy­methyl substituent is in an endo position; the BH3 group is equatorial and the (N-bonded) methyl group is axial, relative to the six-membered heterocycle. The N—B bond of 1.649 (8) Å is one of the longest known.

link to html
The three title sterically encumbered ter­phenyl halides are isomorphous and isostructural with a plane of symmetry through the centre of the mol­ecule. The C—X bond distances are 1.745 (3) [X = Cl, (I)], 1.910 (4) [X = Br, (II)] and 2.102 (6) Å [X = I, (III)].

link to html
The relative molecular stereochemistry and crystal packing of the diterpenoid ternifoline-C at 150 K are similar to the results of a previous study probably using room-temperature data.

link to html
The 5-fluoro­pyrimidine-2,4(1H,3H)-dione moiety of the title compound is similar to the known structure of 1-acetyl-5-fluoro­uracil. The 1-octanoyl group and the 5-fluoro­uracil moiety are essentially coplanar with the acyl carbonyl group, which is oriented towards the ring C—H group and away from the nearer ring carbonyl group.

link to html
In the title compound, the furan ring is inclined at an angle of 84.35 (4)° to the phenyl ring. The crystal structure is dominated by van der Waals forces.

link to html
The crystal structure of the title compound contains a crystallographic inversion center. The C—C bond linking the two halves of the mol­ecule is slightly elongated at 1.577 (3) Å.

link to html
In the course of an attempt to synthesize tetrakis(3,5-di­methyl­pyridine)­dihydridosilicon dibromide, crystals of its aceto­nitrile disolvate, (I>), and of 3,5-di­methyl­pyridinium bromide, (II), were obtained in the same reaction flask. They have both been structurally characterized.

link to html
The title compound has peripheral acetyl and carbo­methoxy groups which show disorder. The absolute structure, known from the starting materials, was confirmed by the analysis.

link to html
A one-dimensional connectivity of strong hydrogen bonds in this simple structure results in a b axis which is very short compared with a and c. This provides a perfect example for the concept of periodic bond-chain vectors.

link to html
In the title compound, the biuret moiety is nearly planar and an intramolecular hydrogen bond completes a six-membered ring. Each phenyl ring of the p-tolyl groups is twisted by approximately 60–80° with respect to the others.

link to html
The title crystal structure reveals hydrogen bonding between the benzene­seleno­late anions and the tetra­methyl­ethyl­enedi­ammonium cations.

link to html
The crystal structure at 153 K of the title compound, an intermediate in the synthesis of 1,3,5-tri­chloro-2,4,6-tri­nitro­benzene, shows no major deviations from the previously reported structure at 295 K other than the expected contraction of the cell volume.

link to html
The title structure consists of separate mol­ecules arranged in sheets parallel to the ab plane. In each mol­ecule, the central (CN)3 ring, the ethynyl units, and the Si atoms lie in the same plane. Typical C—C and C—N bond distances are 1.197 (5) and 1.42 (4) Å, respectively. The angles inside the (CN)3 ring range from 114 (3) to 125 (3)° and the acetyl­enic branches are nearly linear.

link to html
The structure of the title compound comprises a racemic mixture of chiral mol­ecules associated by N—H⋯N hydrogen-bonding interactions. The dihedral angle between the two rings is 77.90 (6)°.

link to html
The structure of the title compound comprises two unique mol­ecules that separately form hydrogen-bonded polymer chains via N—H⋯N interactions. Molecular independence arises due to a difference in the dihedral angles between the linked rings, i.e. 52.19 (4) and 46.17 (5)°.

link to html
The structure of the title compound comprises six symmetry unique mol­ecules that vary only slightly in their N—C—S—C torsion angle. All the mol­ecules are planar to within less than 3.1°.

link to html
The structure of the title compound comprises essentially planar mol­ecules stacked parallel to the a axis. C—H⋯O hydrogen-bonding interactions exist to both naphtho­quinone O atoms and the Cl atom, but not to the morpholine O atom.

addenda and errata


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