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?-2,5-Dihy-droxy-terephthalato-bis-[tri-aqua-(1,10-phenanthroline)zinc] dihy-droxy-terephthalate.

ABSTRACT: In the title compound, [Zn2(C8H4O6)(C12H8N2)2(H2O)6](C8H4O6), the complete ions of both the binuclear dication and the dianion are generated by crystallographic inversion symmetry. The Zn atom is bonded to an N,N'-bidentate phenanthroline ligand, three water moleules and an O-mono-denate 2,5-dihy-droxy-terephthalate dianion. In the resulting distorted octa-hedral ZnN2O4 coordination poly-hedron, the water O atoms are in a mer orientation. Two intra-molecular O-H?O hydrogen bonds occur in the bridging 2,5-dihy-droxy-terephthalate dianion within the complex cation and also in the free dianion. An intra-molecular Ow-H?O (w = water) hydrogen bond also occurs within the dication. In the crystal, O-H?O hydrogen bonds link the component ions into a three-dimensional network.

SUBMITTER: Liu H

PROVIDER: S-EPMC3588754 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

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Poly[[(1,10-phenanthroline-κN,N')zinc]-μ-2,5-bis-(all-yloxy)terephthalato-κO:O].

Project description:The title compound, [Zn(C(14)H(12)O(6))(C(12)H(8)N(2))](n), is a coordination polymer forming one-dimensional infinite zigzag chains along [10[Formula: see text]] by inter-connection of Zn(II) atoms by 2,5-bis-(all-yl-oxy)-terephthalate anions via the carboxyl-ate groups. The Zn(II) atom is located on a twofold axis and is in a distorted tetra-hedral coordination formed by the two carboxyl-ate O atoms [Zn-O = 1.9647 (12) Å] and two phenanthroline N atoms [Zn-N = 2.0949 (14) Å].

| S-EPMC3151955 | biostudies-literature

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.

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Diaqua-(2,6-dihy-droxy-benzoato-?O,O)bis-(2,6-dihy-droxy-benzoato-?O)bis-(1,10-phenanthroline-?N,N')lanthanum(III)-1,10-phenanthroline (1/1).

Project description:In the title compound, [La(C(7)H(5)O(4))(3)(C(12)H(8)N(2))(3)(H(2)O)(2)]·C(12)H(8)N(2), the La(III) atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, four O atoms from three 2,6-dihy-droxy-benzoate (DHB) anions (one monodentate, the other bidentate) and two water O atoms, completing a distorted LaN(4)O(6) bicapped square-anti-prismatic geometry. Within the mononuclear complex mol-ecule, intra-molecular ?-? stacking inter-actions are observed, the first between a coordinated phen mol-ecule and a DHB ligand [centroid-centroid distance = 3.7291?(16)?Å], and the second between a coordinated phen mol-ecule and an uncoordinated phen ligand [centroid-centroid distance = 3.933?(2)?Å]. Inter-molecular ?-? stacking is observed between adjacent complexes [inter-planar distance = 3.461?(3)?Å]. Intra- and inter-molecular O-H?O hydrogen bonds are observed in the DHB ligands and between a water mol-ecule and DHB ligands, respectively. O-H?N hydrogen bonds are also observed in the DHB ligands and between uncoordinated phen mol-ecules and aqua ligands.

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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

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Project description:In the title compound, [Zn(C(12)H(8)N(2))(H(2)O)(4)](C(12)H(10)O(8)), each Zn(II) atom is six-coordinated by two N atoms from one phenanthroline mol-ecule and by four O atoms from four water mol-ecules in a distorted octa-hedral environment. In the crystal structure, ions are linked by O-H?O hydrogen bonds.

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Aqua-(2,6-dihy-droxy-benzoato-?O(1))bis-(1,10-phenanthroline-?(2)N,N')manganese(II) 2,6-dihy-droxy-benzoate hemihydrate.

Project description:In the complex cation of the title compound, [Mn(C(7)H(5)O(4))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(5)O(4))·0.5H(2)O, the Mn(II) atom has a six-coordinate octa-hedral environment defined by one carboxyl-ate O atom belonging to a 2,6-dihy-droxy-benzoate (DHB) ligand, four N atoms from two chelating 1,10-phenanthroline mol-ecules and one water mol-ecule. The lattice water mol-ecule lies on a twofold rotation axis. Intra-molecular O-H?O hydrogen bonds are present in the DHB anions and complex cations. Inter-molecular O-H?O hydrogen bonds link two cations, two anions and one water mol-ecule into a dimer. ?-? inter-actions between the pyridine and benzene rings and between the benzene rings are also observed [centroid-centroid distances = 3.7774?(16), 3.7912?(16) and 3.7310?(17)?Å].

| S-EPMC3379126 | biostudies-other

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

2,5-Dihy-droxy-terephthalic acid dihydrate.

Project description:The title compound, C(8)H(6)O(6)·2H(2)O, was obtained by accident within a project on the synthesis of metal-organic coordination polymers by the reaction of LiOH with 2,5-dihy-droxy-terephthalic acid under solvothermal conditions. The asymmetric unit consists of half a 2,5-dihy-droxy-terephthalic acid mol-ecule located on a centre of inversion and one solvent water mol-ecule that occupies a general position. The 2,5-dihy-droxy-terephthalic acid mol-ecules are connected to the water mol-ecules via O-H?O hydrogen bonding to form a layer in the ab plane.

| S-EPMC3007543 | biostudies-literature

3a,11b-Dihy-droxy-3a,11b-dihydro-1H-imidazo[4,5-f][1,10]phenanthroline-2(3H)-thione.

Project description:The title compound, C(13)H(10)N(4)O(2)S, was prepared through a cyclization reaction of 1,10-phenanthroline-5,6-dione and thio-urea. The dihedral angle between the pyridine rings is 8.22?(2)°. In the crystal, mol-ecules are connected by N-H?O, O-H?N, N-H?S and O-H?S hydrogen bonds, forming a three-dimensional network.

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Tri-μ-sulfato-κO:O'-bis-[aqua-(1,10-phenanthroline-κN,N')indium(III)] dihydrate.

Project description:In the title dinuclear In(III) compound, [In(2)(SO(4))(3)(C(12)H(8)N(2))(2)(H(2)O)(2)]·2H(2)O, each In(III) cation is coordinated by a 1,10-phenanthroline (phen) ligand, a water mol-ecule and three sulfate O atoms in a distorted InN(2)O(4) octa-hedral geometry. Three sulfate anions bridge two In(III) cations, forming the dinuclear entities. O-H⋯O and weak C-H⋯O hydrogen bonding is observed in the crystal structure. The crystal structure is further consolidated by π-π stacking between nearly parallel phen ring systems [dihedral angle = 4.2 (4)°], the centroid-centroid distance between benzene rings of adjacent phen ligands being 3.528 (9) Å.

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