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Aqua(4-hydroxy-benzoato-?O)(4-hydroxy-benzoato-?O,O')(1,10-phenanthroline-?N,N')zinc(II) monohydrate.

ABSTRACT: The Zn atom in the title compound, [Zn(C(7)H(5)O(3))(2)(C(12)H(8)N(2))(H(2)O)]·H(2)O, exists in a distorted cis-ZnN(2)O(4) octa-hedral coordination geometry. One of the 4-hydroxy-benzoate anions chelates in a bidentate manner whereas the other is monodentate. The complex mol-ecules are linked through the uncoordinated water mol-ecules into a hydrogen-bonded sheet structure.

SUBMITTER: Kong LL

PROVIDER: S-EPMC2960213 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

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Aqua(4-hydroxy-benzoato-κO)(4-hydroxy-benzoato-κO,O')(1,10-phenanthroline-κN,N')zinc(II) monohydrate.

Kong Li-Li LL Gao Shan S Huo Li-Hua LH Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20080125 Pt 2

The Zn atom in the title compound, [Zn(C(7)H(5)O(3))(2)(C(12)H(8)N(2))(H(2)O)]·H(2)O, exists in a distorted cis-ZnN(2)O(4) octa-hedral coordination geometry. One of the 4-hydroxy-benzoate anions chelates in a bidentate manner whereas the other is monodentate. The complex mol-ecules are linked through the uncoordinated water mol-ecules into a hydrogen-bonded sheet structure. ...[more]

PMID: 21201366

Similar Datasets

Aqua-bis-(benzoato-?O)(1,10-phenanthroline-?N,N')zinc(II).

Project description:The Zn atom in the title compound, [Zn(C(7)H(5)O(2))(2)(C(12)H(8)N(2))(H(2)O)], is five-coordinate in a distorted trigonal-bipyramidal coordination environment involving two O atoms of two monodentate benzoates, two N atoms of a 1,10-phenanthroline mol-ecule and one O atom of a water mol-ecule. The axial positions are occupied by a carboxyl-ate O atom from the benzoate ligand and an N atom from the 1,10-phenanthroline ligand [N-Zn-O = 146.90?(7)°]. The water mol-ecule forms an intra-molecular O-H?O hydrogen bond; an inter-molecular O-H?O hydrogen bond gives rise to a dimer.

| S-EPMC3050171 | 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

Aqua-(2,9-dimethyl-1,10-phenanthroline-?N,N')bis-(2-hydroxy-benzoato-?O)manganese(II) 2,9-dimethyl-1,10-phenanthroline hemisolvate.

Project description:In the asymmetric unit of the title complex, [Mn(C(7)H(5)O(3))(2)(C(14)H(12)N(2))(H(2)O)]·0.5C(14)H(12)N(2), the Mn(II) ion is coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) mol-ecule, one water mol-ecule and two monodentate 2-hydroxy-benzoate anions in a distorted trigonal-bipyramidal geometry. The OH group of the 2-hydroxy-benzoate anion is disordered over two positions with site-occupancy factors of 0.5. The asymmetric unit is completed with by an uncoordinated half-mol-ecule of dmphen, disordered about a crystallographic twofold axis. In the crystal structure, mol-ecules are linked into a two-dimensional framework by O-H?N, O-H?O and C-H?O hydrogen bonds. The packing of the structure is further stabilized by ?-? stacking inter-actions involving dmphen mol-ecules, with centroid-centroid separations of 3.8027?(3) and 3.6319?(3)?Å.

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Project description:The crystal structure of the title compound, [Co(C(7)H(5)O(3))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(5)O(3))·5H(2)O, consists of Co(II) complex cations, uncoordinated hydroxy-benzoate anions and uncoord-inated water mol-ecules. The Co(II) ion is coordinated by two phenanthroline ligands, a water mol-ecule and a 3-hydroxy-benzoate anion, and displays a distorted octa-hedral geometry. ?-? stacking is observed between parallel phenanthroline ligands, the face-to-face separations being 3.454?(19) and 3.435?(7)?Å. An extensive hydrogen-bonding network helps to stabilize the crystal structure. The hydroxybenzoate ligand is disordered over two positions, with site occupancy factors 0.6 and 0.4. One solvent water molecule is also disordered over two positions, with site occupancy factors 0.6 and 0.4.

| S-EPMC2960224 | biostudies-literature

Aqua-(2,9-dimethyl-1,10-phenanthroline-?N,N')bis-(3-hydroxy-benzoato-?O)manganese(II)-2,9-dimethyl-1,10-phenanthroline-water (1/1/1).

Project description:In the title compound, [Mn(C(7)H(5)O(3))(2)(C(14)H(12)N(2))(H(2)O)]·C(14)H(12)N(2)·H(2)O, the Mn(II) ion is coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand, two monodentate 3-hydroxy-benzoate anions (3-HBA) and one water mol-ecule in a distorted trigonal-bipyramidal environment. An uncoordinated dmphen and an uncoordinated water mol-ecule cocrystallized with each complex mol-ecule. Intra- and inter-molecular O-H?N and O-H?O hydrogen bonds are also present between the coordinated 3-HBA and water mol-ecules and the uncoordinated dmphen and water mol-ecules in the crystal. The packing of the structure is further stabilized by ?-? stacking inter-actions involving dmphen mol-ecules, with a centroid-centroid separation of 3.705?(3)?Å.

| S-EPMC2977455 | biostudies-literature

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

Project description: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.

| S-EPMC3151932 | biostudies-literature

Aqua-(hippurato)bis-(1,10-phenanthroline)cobalt(II) nitrate monohydrate.

Project description:In the title compound, [Co(C(9)H(8)NO(3))(C(12)H(8)N(2))(2)(H(2)O)]NO(3)·H(2)O, the Co(II) atom is six-coordinated by a carboxylate O atom of the hippurate (Hc) anion, a water O atom and four N atoms from two 1,10-phenanthroline ligands in a distorted octa-hedral geometry. The uncoordinated O atom of the hippuric acid anion is involved in an intra-molecular hydrogen bond to the coordinated water mol-ecule. The crystal packing is stabilized by inter-molecular O-H?O hydrogen bonds involving the Hc anions, the coordinated water mol-ecule, the nitrate anion and the uncoordinated water mol-ecule.

| S-EPMC3009208 | biostudies-literature

catena-Poly[[[aqua-(pyrazino-[2,3-f][1,10]phenanthroline-?N,N)zinc(II)]-?-penta-nedioato] monohydrate].

Project description:In the title compound, {[Zn(C(5)H(6)O(4))(C(14)H(8)N(4))(H(2)O)]·H(2)O}(n), the Zn(2+) ion is coordinated by an N,N'-bidentate pyrazino-[2,3-f][1,10]phenanthroline (pyphen) ligand, a water molecule and a monodentate glutarate (glu) dianion. A symmetry-generated O:O'-bidentate glu dianion completes a distorted cis-ZnN(2)O(4) octa-hedral coordination geometry for the metal ion. The bridging glu species generates [110] polymeric chains in the crystal. O-H?O hydrogen bonds involving both the coordinated and uncoordinated water mol-ecules help to consolidate the structure and neighbouring pyphen units inter-act through numerous aromatic ?-? inter-actions [minimum centroid-centroid separation = 3.654?(3)?Å], resulting in a two-dimensional network.

| S-EPMC3011601 | biostudies-literature

Aqua-dinitrato(quioxalino[2,3-f][1,10]phenanthroline)nickel(II) monohydrate.

Project description:In the crystal of the title compound, [Ni(NO(3))(2)(C(18)H(10)N(4))(H(2)O)]·H(2)O, the Ni(II) ion is coordinated in a distorted octahedral geometry by two N atoms of the 1,10-phenanthroline moiety of the ligand, three O atoms from two nitrate anions and an O atom from one water mol-ecule. O-H?O hydrogen bonds between the coordinated and the solvent water molecules and between these water molecules and the nitrate O atoms help to establish the crystal packing.

| S-EPMC2969060 | 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

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