In the title compound, C(18)H(19)NO(4)S, the two benzene rings form a dihedral angle of 68.37 (11)°. One of the C atoms of the fused ring bonded to the N atom displays positional disorder with site-occupation factors of 0.763 (7) and 0.237 (7) and the ring has an envelope conformation with the disordered C atoms located on opposite sides of the plane formed by the other atoms. In the crystal, i...

The Ti(IV) atom in the title compound, [Ti(C(9)H(5)ClNO)(2)(C(3)H(7)O)(2)], is chelated by the substituted quinolin-8-olate anions in a distorted octa-hedral geometry. The N-donor atoms are in a cis alignment as are the O atoms of the propan-2-olate groups; the O atoms of the quinolin-8-olate groups are trans to each other. One C atom of one propan-2-olate group is disordered over two positions...

In the title compound, [Re(C6H5N)3(CO)3]BF4, the Re(I) ion is six-coordinated by three pyridine N atoms and three carbonyl C atoms. In each case, the carbonyl C atom lies trans to a pyridine N atom. In the crystal, the ions are linked via C-H⋯F hydrogen bonds and C-H⋯π inter-actions, forming a three-dimensional framework. The F atoms of the BF4 anion are disordered over two positions and gave a...

In the unsymmetrical title vanadyl complex, [V(C9H9NO2)(C7H5O2)O], one of the ligands (2-formyl-phenol) is disordered over two sets of sites, with an occupancy ratio of 0.55 (2):0.45 (2). The metal atom is hexa-coordinated, with a distorted octa-hedral geometry. The vanadyl O atom (which subtends the shortest V-O bond) occupies one of the apical positions and the remaining axial bond (the longe...

The asymmetric unit of the title compound, 2C(8)H(9)N(2) (+)·2ClO(4) (-)·H(2)O, consists of two (4-cyano-benz-yl)>ammonium cations, two disordered ClO(4) (-) anions and one water mol-ecule. The differences in the two cations are reflected in the N-C-C-C torsion angles [-94.7 (3) and -115.9 (3)°]. In addition, the cations show different hydrogen-bonding patterns as one N atom bonds to two O atom...

In the title compound, C(24)H(29)Br(2)N(5)O(6), a glycoluril derivative, the 1,4-dibromo-benzene ring is fused to the seven-membered ring of the glycoluril unit containing two N atoms. The two five-membered rings in the glycoluril unit are approximately planar and the dihedral angle between them is 69.8 (2)°. The six-membered ring containing three N atoms adopts a chair conformation. The crysta...

The title compound, C(8)H(8)N(4), possesses crystallographic mirror symmetry, with four C atoms lying on the reflecting plane, which bis-ects the phenyl and tetra-zole rings. It is composed of a planar r.m.s. deviation (0.0012 Å) tetra-zole ring which is nearly coplanar with the benzene ring, the dihedral angle being 2.67 (9)°. In the crystal, symmetry-related mol-ecules are linked by inter-mol...

In the title complex, [Cu(C(7)H(5)O(3))(C(27)H(27)N(7))]ClO(4)·2C(3)H(7)NO, the Cu(II) ion is five-coordinated by four N atoms from the tris-(1-methyl-1H-benzimidazol-2-ylmeth-yl)amine ligand and an O atom of the monodentate salicylate ligand. The N(4)O donor set defines a coordination geometry inter-mediate between square-pyramidal and trigonal-bipyramidal. The crystal structure is stabilized ...

The title compound, [Ag(C(9)H(5)N(2)O(4))(C(9)H(6)N(2)O(4))]·H(2)O, contains one independent Ag atom, a neutral 1H-benzimidazole-5,6-dicarboxylic acid (bdcH), its monodeprotonated form, i.e. 5-carboxyl-ato-1H-1,3-benzimidazole-6-carboxylic acid (bdc), and one solvent water mol-ecule, the latter being disordered over three sites with site occupancy factors of 0.375 (× 2) and 0.25. In addition, t...

In the title compound, [Ni(2)(C(2)H(4))(2)(C(25)H(22)P(2))(2)]·2C(7)H(8), each Ni atom is coordinated in a trigonal-planar geometry by two P atoms of the bridging 1,2-bis-(diphenyl-phosphino)methane (dppm) ligands and by the centroid of the double bond of an ethene ligand. An eight-membered ring comprising the two Ni atoms, four P atoms and the CH(2) groups of the two dppm ligands is thus forme...