The title dinuclear compound, [Tb(2)(C(7)H(5)O(3))(6)(H(2)O)(6)]·10H(2)O, lies on a center of inversion and the two Tb(III) atoms are bridged by two 4-hydroxy-benzoate anions; each metal atom is further coordinated by one monodentate anion and chelated by the third anion. The eight-coordinate geometry approximates a square anti-prism. Hydrogen bonds of the O-H⋯O type connect the uncoordinated w...

Reaction paths of base-catalyzed hydrolyses of isoelectronic substrates, Ph-C(=O)-X-Et [X = O (ethyl benzoate) and X = NH (N-ethylbenzamide)], were traced by DFT calculations. To simulate bond interchanges accompanied by proton transfers, a cluster model of Ph-C(=O)-X-Et + OH(-)(H(2)O)(16) was employed. For X = O, three elementary processes and for X = NH four ones were obtained. The rate-deter...

The asymmetric unit of the title compound, C(12)H(24)N(+)·C(8)H(7)O(3) (-), contains one dicyclo-hexyl-ammonium cation and one 2-methoxy-benzoate anion. Two cations and two anions are linked together to form a four-ion cluster through a set of N-H⋯O hydrogen bonds. Weak C-H⋯O hydrogen bonds connect the clusters into chains that are stacked along the crystallographic c axis.

In the title complex, [Sn(4)(C(4)H(9))(8)(C(7)H(5)N(2)O(4))(4)O(2)], all four Sn(IV) atoms are five-coordinated with distorted trigonal-bipyramidal SnC(2)O(3) geometries. Two Sn(IV) atoms are coordin-ated by two butyl groups, one benzoate O atom and two bridging O atoms, whereas the other two Sn(IV) atoms are coordinated by two butyl groups, two benzoate O atoms and a bridging O atom. All the b...

In the title complex, [Cu(C(7)H(4)NO(4))(C(5)H(5)N(2)O(2))(H(2)O)(2)], the Cu(II) ion is coordinated in a slightly distorted square-pyramidal enviroment. The basal plane is formed by an N atom and an O atom from a 5-methyl-1H-pyrazole-3-carboxyl-ate ligand and by two O atoms from two water ligands. The apical position is occupied by a carboxylate O atom from a 4-nitro-benzoate ligand. In the cr...

The dinuclear complex, [Cd(2)(C(7)H(4)BrO(2))(4)(C(13)H(14)N(2))(2)], lies on a twofold rotation axis crossing midway between the two metal atoms. The Cd(II) cation is seven-coordinated with a geometry that can be considered as distorted penta-gonal bipyramidal, with the N atom of the N-heterocyclic units occupying the apical sites and the O atoms of the 4-bromo-benzoate units in the equatorial...

The structure of the title compound, C(14)H(10)Cl(2)O(2), resembles those of 3-chloro-phenyl 4-methyl-benzoate, 2,6-dichloro-phenyl 4-methyl-benzoate and 2,4-dichloro-phenyl 4-methyl-benzoate, with similar bond parameters. The dihedral angle between the benzene and benzoyl rings is 48.81 (6)°.

The paddlewheel-type centrosymmetric dinuclear title complex, [Cu(2)(C(7)H(5)O(2))(4)(C(8)H(6)N(2))(2)], contains four bridging benzoate groups and two terminal quinoxaline ligands. The octa-hedral coordination around each Cu atom, with four O atoms in the equatorial plane, is completed by an N atom of a quinoxaline mol-ecule [Cu-N = 2.2465 (18) Å] and by the second Cu atom [Cu⋯Cu = 2.668 (5) Å...

In the title compound, [Cd(C(8)H(7)O(2))(2)(C(3)H(4)N(2))(2)(H(2)O)], the Cd(II) atom is coordinated by four carboxyl-ate O atoms from two bidentate chelating 4-methyl-benzoate ligands, two N atoms from two imidazole ligands and one water mol-ecule in a distorted penta-gonal bipyramidal geometry. Inter-molecular O-H⋯O hydrogen bonds between the coordinated water mol-ecule and the carboxyl-ate O...

In the title compound, C17H14Cl2O3, the two benzene rings are twisted by 73.6 (2)°. The twist is similar to that found in the unsubstituted compound, viz. phenyl benzoate. In the crystal, inversion dimers are linked by pairs of C-H⋯O inter-actions.