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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 |

REPOSITORIES: biostudies-literature

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Bis(μ-2,4-dihy-droxy-benzoato-κO:O')bis-[aqua-(2,4-dihy-droxy-benzoato-κO)(1,10-phenanthroline-κN,N')cadmium(II)].

Project description:In the title centrosymmetric dimeric Cd(II) complex, [Cd(2)(C(7)H(5)O(4))(4)(C(12)H(8)N(2))(2)(H(2)O)(2)], the Cd(II) cation is coord-inated by a bidentate phenanthroline (phen) ligand, three dihy-droxy-benzoate (dhba) anions and one water mol-ecule in a distorted CdN(2)O(4) octa-hedral geometry. Among the dhba anions, two anions bridge two Cd(II) cations to form the dimeric complex with significant different Cd-O bond distances of 2.2215 (19) and 2.406 (2) Å. The centroid-centroid distance of 3.4615 (19) Å between two nearly parallel benzene rings of the dhba and phen ligands coordinating to the same Cd(II) cation indicates the existence of intra-molecular π-π stacking in the complex. Extensive O-H⋯O hydrogen bonding and inter-molecular weak C-H⋯O hydrogen bonding help to stabilize the crystal structure. One hy-droxy group of the monodentate dhba ligand is disordered over two sites with a site-occupancy ratio of 0.9:0.1.

| S-EPMC3006915 | biostudies-literature

Bis(4'-hy-droxy-biphenyl-4-carboxyl-ato-κO)(1,10-phenanthroline-κN,N')zinc.

Project description:In the title compound, [Zn(C(13)H(9)O(3))(2)(C(12)H(8)N(2))], the Zn(II) atom is located on a twofold rotation axis and has a distorted tetra-hedral coordination with two N atoms from the phenanthroline ligand arranged around the twofold axis and two O atoms from two symmetry-related 4'-hy-droxy-biphenyl-4-carboxyl-ate ligands. The mol-ecules are linked by O-H⋯O hydrogen bonds, forming a chain developing parallel to [101].

| S-EPMC3089091 | biostudies-literature

Aqua-(4-bromo-benzoato-κO)bis-(1,10-phenanthroline-κN,N')zinc(II) 4-bromo-benzoate 1.5-hydrate.

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.

| S-EPMC3009099 | biostudies-literature

Aqua-(imino-diacetato-κO,N,O')(1,10-phenanthroline-κN,N')zinc(II) sesquihydrate.

Project description:The imino-diacetate dianion in the title compound, [Zn(C(4)H(5)NO(4))(C(12)H(8)N(2))(H(2)O)]·1.5H(2)O, chelates to the Zn(II) center with its N and two O atoms. The metal atom is also chelated by the N-heterocycle and coordinated by one water molecule, leading to a distorted octahedral environment. The dianion, and coordinated and uncoordinated water mol-ecules inter-act through O-H⋯O hydrogen bonds, generating a three-dimensional network. One of the two uncoordinated water mol-ecules has half-site occupancy. The crystal studied was a non-merohedral twin with a 15% twin component.

| S-EPMC2967921 | biostudies-literature

Bis(μ-3-hydroxy-benzoato-κO,O':O)bis-[aqua-(3-hydroxy-benzoato-κO,O')(1,10-phenanthroline-κN,N')lead(II)] monohydrate.

Project description:In the centrosymmetric binuclear title complex, [Pb(2)(C(7)H(5)O(3))(4)(C(12)H(8)N(2))(2)(H(2)O)(2)]·H(2)O, each Pb atom is eight-coordinated in a PbO(6)N(2) environment by two N atoms from the 1,10-phenanthroline (phen) ligand, five carboxylate O atoms from four 3-hydroxy-benzoate anions and one O atom from the coordinated water mol-ecule in a distorted bicapped trigonal-prismatic geometry. The benzoate groups coordinate each Pb(II) atom in two different ways. Two benzoate ions behave as bidentate ligands to the Pb atom, and another benzoate ion bridges the Pb atoms, forming a binuclear structure. The dimeric units are packed via O-H⋯O hydrogen bonds and π-π inter-actions between the aromatic rings of neighboring mol-ecules, with centroid-centroid distances of 3.552 (2) and 3.641 (2) Å.

| S-EPMC2915093 | biostudies-literature

catena-Poly[[(1,10-phenanthroline)lead(II)]bis-(?-5-chloro-2-hy-droxy-benzoato)].

Project description:In the title polymer, [Pb(C(7)H(4)ClO(3))(2)(C(12)H(8)N(2))](n), the Pb(II) ion displays a distorted pseudo-octa-hedral coordination geometry. The metal center is coordinated by six O atoms from four 5-chloro-salicylate ligands and two N atoms from a chelating phenanthroline ligand. The polymeric structure is built up from bridging carboxyl-ate O atoms, forming chains along [100]. The crystal structure is stabilized by ?-? inter-actions between the 1,10-phenanthroline and 5-chloro-salicylate ligands, the shortest centroid-centroid separation between neighbouring aromatic rings being 3.652?(1)?Å.

| S-EPMC3007493 | biostudies-literature

Bis(2-chloro-1,10-phenanthroline-κN,N')(thio-cyanato-κN)zinc (2-chloro-1,10-phenanthroline-κN,N')tris-(thio-cyanato-κN)zincate.

Project description:The asymmetric unit of the title compound, [Zn(NCS)(C(12)H(7)ClN(2))(2)][Zn(NCS)(3)(C(12)H(7)ClN(2))], contains two cations and two anions. In the cations, the Zn(II) ions have distorted trigonal-bipyramidal environments formed by four N atoms from two 2-chloro-1,10-phenanthroline (cphen) ligands and one N atom from a thio-cyanate ligand. The Zn(II) atoms in the complex anions also have distorted trigonal-bipyramidal environments, formed by two N atoms from a cphen ligand and three N atoms from three thio-cyanato ligands. The crystal packing exhibits π-π inter-actions between the rings of the cphen ligands [shortest centroid-centroid distance = 3.586 (5) Å] and short inter-molecular S⋯Cl [3.395 (5) Å] and S⋯S [3.440 (4) Å] contacts.

| S-EPMC3274921 | biostudies-literature

Bis(3,5-dicarboxy-benzoato-κO,O')(1,10-phenanthroline-κN,N')cadmium(II).

Project description:The mol-ecule of the title compound, [Cd(C(9)H(5)O(6))(2)(C(12)H(8)N(2))], has crystallographic twofold rotation symmetry. The Cd(II) atom, located on the twofold axis, assumes a CdO(4)N(2) distorted octa-hedral coordination geometry. In the crystal structure, the mol-ecules link to each other by O-H⋯O and C-H⋯O hydrogen bonding to form a three-dimensional supra-molecular network.

| S-EPMC2914923 | biostudies-literature

Aqua-(2,9-dimethyl-1,10-phenanthroline-κN,N')diformato-κO,O';κO-nickel(II) monohydrate.

Project description:The asymmetric unit of the title compound, [Ni(HCO(2))(2)(C(14)H(12)N(2))(H(2)O)]·H(2)O, contains a mononuclear complex mol-ecule hydrogen bonded to a lattice water mol-ecule. The Ni(II) atom exhibits a distorted octa-hedral coordination geometry formed by the N atoms from a 2,9-dimethyl-1,10-phenanthroline ligand, two O atoms of a chelating formate anion, one aqua O atom and one O atom of a coordinating formate anion. The mol-ecules are assembled into chains extending along [100] through by O-H⋯O hydrogen bonds. The supra-molecular chains are further linked into layers parallel to (011) by weak π-π packing inter-actions [centroid-centroid separation = 3.768 (2) Å]. The resulting layers are stacked to meet the requirement of close-packing patterns.

| S-EPMC3200966 | biostudies-literature

Bis(μ-3-hy-droxy-benzoato)-κO,O:O;κO:O,O-bis-[(3-hy-droxy-benzoato-κO,O')(iso-nicotinamide-κN)cadmium] tetra-hydrate.

Project description:In the title centrosymmetric binuclear Cd(II) compound, [Cd(2)(C(7)H(5)O(3))(4)(C(6)H(6)N(2)O)(2)]·4H(2)O, the six-coordinated Cd(II) atom is chelated by the carboxyl-ate groups of the two 3-hy-droxy-benzoate (HB) anions; the two monomeric units are bridged through the two O atoms of the two carboxyl-ate groups. In the crystal, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the pyridine rings and between the benzene rings [centroid-centroid distances = 3.770 (1), 3.769 (1) and 3.632 (1) Å] may further stabilize the structure.

| S-EPMC3274919 | biostudies-literature

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