issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

July 2000 issue

Highlighted illustration

Cover illustration: View of (cis-6,13-di­methyl-1,4,8,11-tetraaza­cyclo­tetradec­ane-6,13-di­amine-[kappa]6N)nickel(II) di­per­chlor­ate, with ellipsoids at the 30% probability level. The per­chlor­ate anions are not shown. See Bernhardt [Acta Cryst. C56, 744-746].

inorganic compounds


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The single-crystal structure of the title compound shows the anion to have the Anderson structure based on six WO6 octahedral edge-sharing units surrounding a central MnO6 octahedron. Varying interactions from the O atoms of the MnO6 octahedron to surrounding water mol­ecules result in differences in the Mn—O distances.

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Precise X-ray structural determinations of two Cr3+ α-alums are presented, each at 293 and at 12 K.

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Precise X-ray structural determinations of Cs2K[Mn(CN)6] at 293, 85 and 10 K have been performed. The centrosymmetric [Mn(CN)6]3− anion has very close to regular octahedral stereochemistry.

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The structure of dipotassium titanium trisilicate hydrate has been refined and the hydrogen-bonding geometry elucidated. The structure is a three-dimensional mixed framework with channels formed by six- and eight-membered rings. K+ ions and water mol­ecules are located in the channels.

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The title structure contains typical centrosymmetric OV6 double octahedra and centrosymmetric pairs of edge-shared NaO6 double octahedra forming a layered structure.

metal-organic compounds


















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This new organic zincoarsenate is built up from a two-dimensional framework of ZnO5 and ZnO6 polyhedra, and AsO4 tetrahedra. Trigonally coordinated O atoms are present in these layers. The organic cations are inserted between the inorganic sheets.











organic compounds




































electronic papers (metal-organic compounds)


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The crystal and molecular structure of the title compound shows that the poly­oxo­anion [Mo6O19]2− is built up from six distorted MoO6 octahedra sharing common edges and one common vertex at the central O atom, and has crystallographic m3m (Oh) symmetry. The cation has crystallographic \overline 43m symmetry.

Acta Cryst. (2000). C56, e280
doi: 10.1107/S0108270100007642
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In the title compound, the PdII centre shows slightly distorted square-planar geometry, with the two chloro ligands in cis positions.

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The Ru atom in the title complex shows an octahedral coordination and a trans arrangement of the tri­phenyl­phosphine groups. Both aceto­nitrile mol­ecules are in the same plane as the o-benzoquinone di­imine ligand. Bond distances for the benzoquinone di­imine ring establish a quinone arrangement.

Acta Cryst. (2000). C56, e283
doi: 10.1107/S0108270100007666
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Schiff bases show a tautomeric equilibrium between the enol–imine and keto–amine forms. The title compound has bond distances which are in agreement with a keto–amine tautomer arrangement.

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The polyanion of the title compound contains four PO4 tetrahedra and three VO5 square pyramids that are linked through corner-sharing by alternating P—O—V which gives rise to a chain. The chains, connected by CoO4(H2O)2 octahedra, form layers, resulting in a two-dimensional layered structure.

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In the title compound, the Ni atom of the cation lies on an inversion centre and the Ni coordination is necessarily planar. The Ni—P distances are 2.2188 (5) and 2.2322 (5) Å, and the P—Ni—P angle is 73.12 (3)°. The unique perchlorate anion is not coordinated to the Ni atom.

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The copper ion is in a distorted tetrahedral coordination, with two P atoms and two S atoms occupying the vertices. The longer Cu—S bond lies adjacent to the shorter C—S bond. The small S—Cu—S bond angle is due to the restricted bite angle of the ligand. The crystal structure has alternate layers of complex and tri­phenyl­phosphine mol­ecules parallel to the bc plane.

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The title compound consists of discrete [SnCl(CH3)2{N(C2H5)2}]2 dimers, with Sn atoms linked by bridging diethyl­amido groups. The coordination geometry about the metal atom is distorted trigonal bipyramidal, with the two methyl C atoms and one N atom in the equatorial plane, and the Cl and second N atom in axial positions.

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The monoclinic cell of di­cyclo­hexyl­ammonium 2,4-di­chloro­phenoxy­acetate contains four C12H24N+·C5H8Cl2O3 ion pairs. The ammonium N atom is hydrogen bonded to the oxy­gen ends of two carboxyl groups to form a 12-membered O—C—O⋯HNH⋯O—C—O⋯HNH ring. In (2,4-di­chloro­phenoxy­lacetato)­bis­(tri­phenyl­phosphine)silver(I) (shown opposite), the carboxyl CO2 unit chelates to the Ag atom in an anisobidentate manner [Ag—O = 2.436 (2) and 2.517 (2) Å]; the Ag atom shows distorted tetrahedral geometry.

electronic papers (organic compounds)


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The absolute configuration of C4b (S) and C8a (R) was established with respect to the known C1 configuration (R). The compound forms infinite chains of hydrogen-bonded mol­ecules.

Acta Cryst. (2000). C56, e297
doi: 10.1107/S010827010000768X
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The title compound is a dimer of fluorene investigated as part of study of materials for optoelectronic applications. The rings in the mol­ecule are coplanar and the alkyl chains are perpendicular to this plane. The two fluorene moieties are head-to-foot and are related by a crystallographic centre of inversion.

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In the mol­ecule of the title compound, the phthal­imide group is not exactly planar. The dihedral angle between the mean planes of the phthal­imide and iodo­propyl moieties is 76.6 (2)°. The structure is stabilized by intermolecular C—H⋯O and C—H⋯I interactions, and an intermolecular I⋯O interaction of 3.571 (4) Å, the latter linking the mol­ecules into infinite chains.

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The title compound, prepared by a standard synthetic method, has a cyclo­propane ring fused to a cyclo­pentene ring. Comparison of the unit-cell dimensions and space group of this material with those of a crystal of the same material prepared using a route involving pig liver esterase hydrolysis shows them to be identical.

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The rings in the pterin moiety are planar and the carbonyl O atom is in a synperiplanar conformation. N—H⋯N and N—H⋯O intermolecular hydrogen bonds form eight-membered rings with a graph-set motif of R22(8) on each side of the mol­ecules, extending into infinite chains.

Acta Cryst. (2000). C56, e304
doi: 10.1107/S0108270100007885
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Bi­pyran­yls and pyryl­ium salts are used for photochemical redox reactions. The pyran ring of the title mol­ecule is not planar; the O atom lies very significantly out of the least-squares plane.

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In the title compound, the phospho­no­acetate carbonyl is rotated slightly out of the plane of the ureido ring, with a C—N—C—O torsion angle of −6.9 (4)°.

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In the title compound, cyclo­hexane rings A and B are in the sofa conformation, ring C is in a chair conformation and the five-membered ring D is in an envelope conformation. The structure is stabilized by inter- and intramolecular C—H⋯O and O—H⋯O hydrogen bonds.

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A new aza­anthracene alkaloid (kalasin­amide) has been isolated from the stems of Polya­thia suberosa collected in the northeastern part of Thailand and its structure has been determined.

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?

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