The 351.1 nm photoelectron spectra of the N-methyl-5-pyrazolide anion and the N-methyl-5-imidazolide anion are reported. The photoelectron spectra of both isomers display extended vibrational progressions in the X2A' ground states of the corresponding radicals that are well reproduced by Franck-Condon simulations, based on the results of B3LYP/6-311++G(d,p) calculations. The electron affinities...

The asymmetric unit of the polymeric title compound, {[Cu2(C10H2O8)(C3H4N2)4(H2O)2]·C3H7NO} n , contains two independent Cu(II) ions, each coordinated by one water mol-ecule, two imidazole N atoms and two carboxyl-ate O atoms from benzene-1,2,4,5-tetra-carboxyl-ate anions in a distorted square-pyramidal geometry. The benzene-1,2,4,5-tetra-carboxyl-ate anion bridges four Cu(II) ions, forming a p...

In the title complex, [Zn(C(8)H(3)NO(6))(C(4)H(6)N(2))(2)](n), the carboxyl-ate groups of the 3-nitro-phthalate dianion ligand coordinate the Zn(II) ion in a bis-monodentate mode. The Zn(II) ion shows distorted tetra-hedral coordination as it is bonded to two O atoms from the carboxyl-ate groups of symmetry-related 3-nitro-phthalate anions and two N atoms of two independent 1-methyl-imidazole m...

In the title compound, C(6)H(6)N(2)O(4)·H(2)O, one carboxyl group is deprotonated and one imidazole N atom is protonated. The organic mol-ecule, excluding methyl H atoms, is essentially planar, with an r.m.s. deviation of 0.0156 (1) Å. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link mol-ecules into chains along the b axis; these chains are further linked via O-H⋯O hydrogen b...

The title compound, [Zn(CH(3)CO(2))Cl(C(14)H(14)N(4))](n), is a one-dimensional coordination polymer in which the Zn(II) ion is tetrahedrally -coordinated by two N atoms of a bridging 1,1'-[1,4-phenyl-enebis(methyl-ene)]di-1H-imidazole ligand, an acetate O atom and a Cl atom. The Cl atom, two acetate O atoms and two acetate C atoms are located on a mirror plane. The coordination of the diimidaz...

In the title mononuclear zinc(II) complex, [Zn(C(8)H(7)O(2)S(2))(2)(C(4)H(6)N(2))(2)], the Zn(II) atom, lying on a twofold axis, is coordinated by two O atoms from two 2-(3,4-disulfanylphen-yl)acetate anions and by two N atoms from 2-methyl-imidazole ligands in a distorted tetra-hdral coordination. The crystal structure is stabilized by inter-molecular C-H⋯O and N-H⋯O hydrogen bonds and π-π int...

In the title mononuclear complex, [Cu(C(8)H(7)O(2))(2)(C(7)H(6)N(2))(2)], the Cu(II) atom lies on an inversion centre and is coordinated by two O atoms of two monodentate 4-methyl-benzoate ligands and two N atoms of two benzimidazole ligands in a square-planar geometry. The mol-ecules are linked into chains running parallel to the b axis by inter-molecular N-H⋯O hydrogen bonds and by π-π stacki...

It is known that His-48 is part of the active center in pancreatic phospholipase. To further elucidate the role of histidine-48 in the active center of pancreatic phospholipase A2, we have modified the enzyme with a number of bromo ketones and methyl benzenesulfonates. Rapid methylation occurred with methyl p-nitrobenzenesulfonate. Methylated phospholipase shows total loss of enzymatic activity...

In the title compound, C(23)H(22)N(4)O(4), the essentially planar [maximum deviation = 0.022 (1) Å] benzimidazole ring system forms dihedral angles of 86.16 (7) and 37.38 (6)°, respectively, with the imidazole and benzene rings. The dioxolane ring adopts an envelope conformation with the methyl-ene C atom at the flap. In the crystal, C-H⋯O and C-H⋯N inter-actions link the mol-ecules into a ribb...