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Aqua-(3-fluoro-benzoato-?O)(3-fluoro-benzoato-?O,O')(1,10-phenanthroline-?N,N')cobalt(II).

ABSTRACT: In the title compound, [Co(C(7)H(4)FO(2))(2)(C(12)H(8)N(2))(H(2)O)], the Co(II) ion is coordinated by two O atoms from one 3-fluoro-benzoate (fb) ligand and one O atom from another fb ligand, two N atoms from the 1,10-phenanthroline ligand and a water mol-ecule in a distorted octa-hedral geometry. An intra-molecular O-H?O hydrogen bond occurs. Inter-molecular O-H?O hydrogen bonds link pairs of mol-ecules into centrosymmetric dimers. Weak inter-molecular C-H?O and C-H?F hydrogen bonds and ?-? inter-actions between the aromatic rings [shortest centroid-centroid distance = 3.4962?(2)?Å] further stabilize the crystal packing.

SUBMITTER: Wang XH

PROVIDER: S-EPMC3254294 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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Aqua-(3-fluoro-benzoato-κO)(3-fluoro-benzoato-κO,O')(1,10-phenanthroline-κN,N')cobalt(II).

Wang Xiao-Hui XH Sun Li-Mei LM

Acta crystallographica. Section E, Structure reports online 20111207 Pt 1

In the title compound, [Co(C(7)H(4)FO(2))(2)(C(12)H(8)N(2))(H(2)O)], the Co(II) ion is coordinated by two O atoms from one 3-fluoro-benzoate (fb) ligand and one O atom from another fb ligand, two N atoms from the 1,10-phenanthroline ligand and a water mol-ecule in a distorted octa-hedral geometry. An intra-molecular O-H⋯O hydrogen bond occurs. Inter-molecular O-H⋯O hydrogen bonds link pairs of mol-ecules into centrosymmetric dimers. Weak inter-molecular C-H⋯O and C-H⋯F hydrogen bonds and π-π int ...[more]

PMID: 22259322

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Aqua-bis-(3-fluoro-benzoato-?O)(1,10-phenanthroline-?N,N')copper(II).

Project description:In the title compound, [Cu(C(7)H(4)FO(2))(2)(C(12)H(8)N(2))(H(2)O)], the coordination around the Cu(II) atom is square-pyramidal. The equatorial positions are occupied by two N atoms from a 1,10-phenanthroline ligand [Cu-N = 2.008?(3) and 2.019?(3)?Å] and two O atoms from 3-fluoro-benzoate ligands and a water mol-ecule [Cu-O = 1.950?(2) and 1.978?(2)?Å]. One O atom from another 3-fluoro-benzoate ligand occupies the apical positon [Cu-O = 2.210?(2)?Å]. Hydrogen bonds occur between coordinated water mol-ecules and benzoate ligands, while O-H?O, C-H?O, C-H?F and ?-? stacking [centroid-centroid distance = 3.731?(2)?Å] inter-actions consolidate the crystal packing.

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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.

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Aqua-(3-hydroxy-benzoato-κO)bis-(1,10-phenanthroline-κN,N')cobalt(II) 3-hydroxy-benzoate penta-hydrate.

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Project description:In the title compound, [Co(C(7)H(5)O(2))(2)(C(14)H(12)N(2))], the Co(II) ion is located on a twofold rotation axis and is chelated by a 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand and two benzoate anions in a distorted octa-hedral geometry. The crystal packing is stabilized by π-π inter-actions between parallel dmphen ligands of neighbouring mol-ecules, with a face-to-face distance of 3.411 (2) Å.

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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:In the title compound, [Mn(C(7)H(4)FO(2))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(4)FO(2))·3H(2)O, the Mn(II) atom is coordinated by four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from one monodentate 4-fluoro-benzoate ion and one water mol-ecule, forming a distorted octa-hedral geometry. In the crystal, the three components are assembled into a tape structure along the a axis by O-H?O and C-H?O hydrogen bonds. Between the tapes, a ?-? inter-action with a centroid-centroid distance of 3.569?(3)?Å and a weak C-H?F hydrogen bond are observed.

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cis-Aqua-chloridobis(1,10-phenanthroline-?N,N')cobalt(II) chloride 2.5-hydrate.

Project description:In the title complex, [CoCl(C(12)H(8)N(2))(2)(H(2)O)]Cl·2.5H(2)O, the Co(II) ion is coordinated by four N atoms of two bis-chelating 1,10-phenanthroline (phen) ligands, one water mol-ecule and a chloride ligand in a distorted octa-hedral environment. The dihedral angle between the two phen ligands is 84.21?(3)°. In the crystal structure, complex mol-ecules and chloride ions are linked into centrosymmetric four-component clusters by inter-molecular O-H?Cl hydrogen bonds. Of the 2.5 solvent water mol-ecules in the asymmetric unit, two were refined as disordered over two sites with fixed occupancies of ratios 0.50:0.50 and 0.60:0.40, while another was refined with half occupancy.

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