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Aqua-bis-(4-chloro-2-hy-droxy-benzoato-κO)(1,10-phenanthroline-κN,N')zinc(II).

ABSTRACT: In the title compound, [Zn(C(7)H(4)ClO(3))(2)(C(12)H(8)N(2))(H(2)O)], the Zn(II) cation is coordinated by two 4-chloro-2-salicylate anions, one 1,10-phenanthroline ligand and one water mol-ecule in a square-pyramidal coordination geometry; the Zn cation lies 0.4591 (11) Å from the basal plane. The benzene rings of the anions are involved in π-π stacking. The centroid-centroid distance between parallel benzene rings of adjacent mol-ecules is 3.9017 (17) Å, and the centroid-centroid distance between benzene and pyridine rings of adjacent mol-ecules is 3.584 (2) Å. Intra-molecular O-H⋯O hydrogen bonding is present.

SUBMITTER: Nie JJ

PROVIDER: S-EPMC3151932 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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Aqua-bis-(4-chloro-2-hy-droxy-benzoato-κO)(1,10-phenanthroline-κN,N')zinc(II).

Nie Jing-Jing JJ Xu Xun X Xu Duan-Jun DJ

Acta crystallographica. Section E, Structure reports online 20110604 Pt 7

In the title compound, [Zn(C(7)H(4)ClO(3))(2)(C(12)H(8)N(2))(H(2)O)], the Zn(II) cation is coordinated by two 4-chloro-2-salicylate anions, one 1,10-phenanthroline ligand and one water mol-ecule in a square-pyramidal coordination geometry; the Zn cation lies 0.4591 (11) Å from the basal plane. The benzene rings of the anions are involved in π-π stacking. The centroid-centroid distance between parallel benzene rings of adjacent mol-ecules is 3.9017 (17) Å, and the centroid-centroid distance betwe ...[more]

PMID: 21836855

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Aqua-bis-(benzoato-κO)(1,10-phenanthroline-κN,N')zinc(II).

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Aqua-chlorido(4-methyl-benzoato-κO)(1,10-phenanthroline-κN,N')copper(II).

Project description:In the title mononuclear complex, [Cu(C(8)H(7)O(2))Cl(C(12)H(8)N(2))(H(2)O)], the Cu(II) atom is coordinated by one carboxylate O atom from a monodentate 4-methyl-benzoate ligand, two N atoms from the 1,10-phenanthroline ligand, one chloride ion and one water mol-ecule in a square-pyramidal geometry. The crystal structure exhibits inter- and intra-molecular C-H⋯Cl, C-H⋯O, O-H⋯Cl and O-H⋯O hydrogen bonds, as well as C-H⋯π inter-actions of phenanthroline and methyl H atoms towards the π-systems of neighboring 4-methyl-benzoate units and the pyridine rings of the phenanthroline system [centroid-centroid distances are 2.706 (2) and 2.992 (1) Å, respectively].

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Project description:In the title compound, [Zn(C(7)H(4)BrO(2))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(4)BrO(2))·1.5H(2)O, the Zn(II) atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, one O atom from a 4-bromo-benzoate ligand and one water mol-ecule, completing a distorted ZnN(4)O(2) octa-hedral geometry. The two phen ligands exhibit nearly perfect coplanarity (r.m.s. deviations = 0.027 and 0.031 Å), making a dihedral angle of 85.7 (1)°. The mean inter-planar distances of 3.36 (2) and 3.41 (3) Å between adjacent phen ligands indicate π-π stacking inter-actions. The uncoordinated water mol-ecules are partly occupied. One carboxyl-ate O atom and two Br atoms are each disordered over two sites, with occupancy factors of 0.60 and 0.40. In the crystal structure, O-H⋯O and C-H⋯O hydrogen bonds and π-π stacking inter-actions link the complex cations, uncoordinated 4-bromo-benzoate anions and water mol-ecules into a three-dimensional supra-molecular network. An intra-molecular O-H⋯·O hydrogen bond is observed in the cation.

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Project description:In the title compound, [Cu(2)(C(7)H(4)ClO(2))(4)(C(12)H(8)N(2))(2)]·2H(2)O, the two crystallographically independent dinuclear complex mol-ecules, A and B, have different Cu⋯Cu separations, viz. 3.286 (1) Å in A and 3.451 (1) Å in B. Both independent mol-ecules reside on inversion centres, so the asymmetric unit contains a half-mol-ecule each of A and B and two water mol-ecules. Each Cu atom has a square-pyramidal environment, being coordinated by two O atoms from two bridging 2-chloro-benzoate ligands, one O atom from a monodentate 2-chloro-benzoate ligand and two N atoms from a 1,10-phenanthroline ligand. The water mol-ecules can also be considered as coordinating ligands, which complete the coordination geometry up to distorted octa-hedral with elongated Cu-O distances, viz. 3.024 (3) Å in A and 2.917 (3) Å in B. In the crystal, weak inter-molecular C-H⋯O inter-actions contribute to the consolidation of the crystal packing.

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