Viktor Vrábel

Polymeric triamminetetrakis(μ-cyano)-dicuprate(I)copper(II)

The crystal structure of the mixed-valence copper-cyanide complex [Cu I 2 Cu II (CN) 4 (NH 3 ) 3 ]∞ comprises infinite polymeric double chains. The geometry about the Cu I centres is approximately trigonal pyramidal, and each Cu II centre adopts a slightly distorted square-pyramidal coordination, with one NH 3 ligand disordered equally over two alternative sites. In contrast to previous reports, we find that the title compound crystallizes in the monoclinic space group P2 1 /n.

Tris[bis(ethylenediamine)copper(II)] Poly[hexakis(μ-cyano)hexakis(μ-selenocyanato)hexacopper(I)], [CuIIen2]3[CuI6(CN)6(SeCN)6]

The structure of the title compound, [Cu(C 2 H 8 N 2 ) 2 ] 3 -[Cu 6 (CN) 6 (SeCN) 6 ], consists of a three-dimensional skeleton formed by the polymeric chains of anions, [Cu I 6 (CN) 6 (SeCN) 6 ]6 - . In the cavities are located Cu II atoms, coordinated by two molecules of ethylenediamine. One Cu II atom occupies a special position. The ethylenediamine molecules have a gauche conformation. The Cu I atoms are coordinated tetrahedrally by cyano and selenocyanato groups acting as bridging ligands. The average Cu I -NC and Cu I -N bond lengths are 1.981(6) and 1.913 (6)A, respectively.

Structure of dibenzylchlorotin(IV) thiooxinate

The structure of dibenzylchloro(8-quinolinethiolato-N,S)tin(IV) consists of monomeric trigonal bipyramidal chelate molecules. The two benzyl C atoms and the thiooxinate S atom occupy equatorial sites; the N atom of the bidentate thiooxinate group [Sn-N 2.367 (4) A] and the Cl atom [Sn-Cl 2.475 (2) A] are axial. The strong Sn-N bond causes deformation of the coordination polyhedron and is a consequence of electronic effects of the thiooxinate group and steric effects of the benzyl substituents

Structure of 2,2,6,6-tetramethylpiperidin-4-ol-dodecanoic acid (1/2) complex

C18H26N2Os, three independent molecules with different conformations, M r = 350.4, orthorhombic, P2~2~2~, a = 16.077(I0), b = 2 8 . 9 3 5 ( 1 8 ) , c = 12.597 (6),/k, V=5860.0 , /k 3, Z = 12, D x = 1. 191 g cm -3, 2(Cu Kt~) = 1.54178 ,/k, F(000) = 2256, room temperature, final R = 4.9% for 4596 data with 0108-2701/89/050791-05503.00 I F,,I > 3a and 5.4% for all 4977 measured data. The three independent molecules have different conformations for the backbones and the side-chains, although each molecule is relatively flat and has an approximate H shape. The backbone in one of the conformations has ~p, ~, angles near those for a fl-turn. There is extensive

2-(1,3-Benzoxazol-2-yl)-3-(5-diethylamino-2-furyl)propenenitrile

The title compound, C 18 H 17 N 3 O 2 , belongs to a series of large conjugated molecules with potential use as organic dyes. As indicated by the planarity of the molecule and the pattern of bond lengths and angles, a considerable amount of π-electron density is transferred from the aminofuran portion of the molecule to the cyano and benzoxazolyl groups. This fact is supported by the packing of the molecules in the crystal.

Diethyl 2-(2,3-diphenylquinoxalin-6-ylaminomethylene)malonate

The substituted aminoethylenic group in the title compound, C 28 H 25 N 3 O 4 , is approximately coplanar with the heterocyclic plane [dihedral angle 16 (2)°] and the α-C atom C(23), is disordered between two well defined sites. This disorder originates from a flipping of the aminoethylenic moiety around the C(6)−N(5) bond. The phenyl rings at C(2) and C(3) are twisted out of the plane of the quinoxaline ring system by 46.7 (8) and 38.0 (9)°, respectively

Di-n-butylbis(2-phenylquinazoline-4-thiolato-N3,S)tin(IV)

The central Sn atom in the title complex, [Sn(C4H9)2(C14H9N2S)2], is located on a twofold axis. The coordination polyhedron about the Sn atom is a skew-trapezoidal bipyramid. The trapezoidal plane is formed by the two 2-phenylquinazoline-4-thiolate resdues, which act as bidentate ligands with cis-Sn—S and cis-Sn—N bonds. The axial C atoms are shifted towards the half-sphere occupied by two N atoms, resulting in a C—Sn—C angle of 131.1 (2)°. Each phenyl substituent is twisted with respect to the mean plane of the quinazoline system.

1-(1,3-Benzothiazol-2-yl)-3,3,3-trichloro-2-propanol

In the title compound, C 10 H 8 Cl 3 NOS, the two planar benzene and thiazole rings are nearly coplanar. The dihedral angle between them is 1.20(8)°. Strong intermolecular O-H...N hydrogen bonds link the molecules into infinite chains.

Chlorobis(N,N-diethyldithiocarbamato)(vinyl)tin(IV)

The crystal structure of the title compound, [SnCl(C 2 H 3 )(C 5 H 10 NS 2 ) 2 ], consists of relatively isolated complex molecules, the closest intermolecular contact [3.573 (6) A] being between the methyl C atom C(3) and the S atom S(2) of neighbouring molecules. The Sn atom is hexacoordinated by the vinyl group, the Cl atom and the two bidentate dithiocarbamate ligands, resulting in a distorted octahedral geometry. The vinyl group and Cl atom both occupy cis positions with respects to the dithiocarbamate ligands

3-[5-(2-nitrophenyl) furfurylidene]-2,4-pentanedione

The title compound, C 16 H 13 NO 5 , consists of monomeric units. The whole molecule was tested for planarity. Unlike the 3-nitrophenyl isomer [Lokaj, Vrabel, Sivy, Ilavsky & Korenova (1994). Acta Cryst. C50, 1312-1314], the fragment containing the 0(1), C(1), C(2) and C(5) atoms, the furylidene ring and the attached nitrophenyl group are not in the same plane. The dihedral angle between the benzene and furan rings is 47.8°