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Diaqua-(5-carb-oxy-benzene-1,3-dicarboxyl-ato-κO,O)(6,6'-dimethyl-2,2'-bipyridine-κN,N')nickel(II) hepta-hydrate.

ABSTRACT: In the title compound, [Ni(C(9)H(4)O(6))(C(12)H(12)N(2))(H(2)O)(2)]·7H(2)O, the Ni(II) atom is six-coordinated by two O atoms from a chelating carboxyl-ate group of a 5-carb-oxy-benzene-1,3-dicarboxyl-ate ligand, two O atoms of two water mol-ecules and two N atoms from a 6,6'-dimethyl-2,2'-bipyridine ligand in a distorted octa-hedral geometry. The compound exhibits a three-dimensional supra-molecular structure composed of the complex mol-ecules and lattice water mol-ecules, which are linked together by inter-molecular O-H⋯O hydrogen bonds and partly overlapping π-π inter-actions between the pyridine and benzene rings [centroid-centroid distances = 3.922 (2) and 3.921 (2) Å]. One of the lattice water mol-ecules is disordered over two positions in an occupancy ratio of 0.521 (6):0.479 (6).

SUBMITTER: Shan WW

PROVIDER: S-EPMC3200942 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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Diaqua-(5-carb-oxy-benzene-1,3-dicarboxyl-ato-κO,O)(6,6'-dimethyl-2,2'-bipyridine-κN,N')nickel(II) hepta-hydrate.

Shan Wen-Wen WW Xiong Han-Lin HL Mei Chong-Zhen CZ

Acta crystallographica. Section E, Structure reports online 20110817 Pt 9

In the title compound, [Ni(C(9)H(4)O(6))(C(12)H(12)N(2))(H(2)O)(2)]·7H(2)O, the Ni(II) atom is six-coordinated by two O atoms from a chelating carboxyl-ate group of a 5-carb-oxy-benzene-1,3-dicarboxyl-ate ligand, two O atoms of two water mol-ecules and two N atoms from a 6,6'-dimethyl-2,2'-bipyridine ligand in a distorted octa-hedral geometry. The compound exhibits a three-dimensional supra-molecular structure composed of the complex mol-ecules and lattice water mol-ecules, which are linked toge ...[more]

PMID: 22065470

Similar Datasets

Diaqua-(2,2'-bipyridine-6,6'-dicarboxyl-ato)nickel(II).

Project description:In the title compound, [Ni(C(12)H(6)N(2)O(4))(H(2)O)(2)], the Ni(II) atom (site symmetry 2) displays a distorted cis-NiN(2)O(4) octa-hedral coordination geometry with two N atoms and two O atoms of the tetra-dentate 2,2'-bipyridine-6,6'-dicarboxyl-ate ligand in the equatorial plane and two water mol-ecules in axial positions. The complete dianionic ligand is generated by crystallographic twofold symmetry. In the crystal, a two-dimensional supra-molecular structure parallel to (001) is formed through O-H⋯O hydrogen-bond inter-actions between the coordinated water mol-ecules and the O atoms of nearby carboxyl-ate groups.

| S-EPMC3120548 | biostudies-literature

Diaqua-(5-carb-oxy-benzene-1,3-di-carboxyl-ato-κO)(4,4'-dimethyl-2,2'-bipyridine-κN,N')zinc.

Project description:In the title compound, [Zn(C(9)H(4)O(6))(C(12)H(12)N(2))(H(2)O)(2)], the Zn(II) atom is five-coordinated by two N atoms from a 4,4'-dimethyl-2,2'-bipyridine ligand, one O atom from a 5-carb-oxy-benzene-1,3-dicarboxyl-ate ligand and two water mol-ecules in a distorted trigonal-bipyramidal geometry. The complex mol-ecules are linked by inter-molecular O-H⋯O hydrogen bonds and partly overlapping π-π inter-actions [centroid-centroid distance = 4.017 (2) Å] into a three-dimensional supra-molecular network.

| S-EPMC3120513 | biostudies-literature

Poly[[diaqua-(3-carb-oxy-5-nitro-ben-zo-ato)(μ-5-nitro-benzene-1,3-dicarboxyl-ato)neodymium(III)] 2.5-hydrate].

Project description:In the title compound, {[Nd(C(8)H(3)NO(6))(C(8)H(4)NO(6))(H(2)O)(2)]·2.5H(2)O}(n), the Nd(II) ion is nine-coordinated by seven O atoms from five carboxyl-ate groups and two water mol-ecules. The [Nd(C(8)H(3)NO(6))(H(2)O)(2)](2+) units are bridged by 5-nitro-isophthalate dianions, forming polymeric sheets parallel to the ab plane. The polymeric sheets are linked into a three-dimensional network by O-H⋯O and C-H⋯O hydrogen bonds, and π-π inter-actions [centroid-centroid distance = 3.5533 (11) Å]. The 5-nitro-isophthalate(1-) anion is disordered over three positions with an occupancy ratio of 0.68:0.23:0.09. Two of the uncoordinated water mol-ecules are disordered over two positions, with occupancy ratios of 0.722 (15):0.278 (15) and 0.279 (6):0.221 (6), respectively.

| S-EPMC2970002 | biostudies-literature

(2,2'-Bipyridine-6,6'-dicarboxyl-ato-?N,N',O)(6'-carb-oxy-2,2'-bipyridine-6-carboxyl-ato-?N,N',O)rhodium(III).

Project description:The Rh(III) ion in the title compound, [Rh(C(12)H(6)N(2)O(4))(C(12)H(7)N(2)O(4))], is coordinated by four N atoms and two O atoms from two chelating ligands L and HL (H(2)L = 2,2'-bipyridine-6,6'-dicarb-oxy-lic acid) to form a distorted octa-hedral geometry. Face-to-face ?-stacking inter-actions are observed between inversion-related pyridine rings, with a centroid-to-centroid distance of 3.581?(1)?Å [the perpendicular distance between the rings is 3.3980?(7)?Å]. Inter-molecular O-H?O hydrogen bonds link adjacent mol-ecules into one-dimensional supra-molecular chains along the c axis, while several inter-molecular C-H?O inter-actions are also observed.

| S-EPMC3297246 | biostudies-literature

Bis(μ-3-chloro-benzene-1,2-dicarboxyl-ato-κO:O)bis-[diaqua-(5,5'-dimethyl-2,2'-bipyridine-κN,N')copper(II)].

Project description:In the centrosymmetric binuclear title compound, [Cu(2)(C(8)H(3)ClO(4))(2)(C(12)H(12)N(2))(2)(H(2)O)(4)], the Cu(II) ion is six-coordinated by two N atoms from a 5,5'-dimethyl-2,2'-bipyridine ligand, two bridging O atoms from two 3-chloro-benzene-1,2-dicarboxyl-ate ligands and two water mol-ecules in a distorted octa-hedral geometry. The binuclear complex mol-ecules are linked together by inter-molecular O-H⋯O hydrogen bonds into a layer parallel to (100). The layers are connected by C-H⋯Cl hydrogen bonds. Intra-molecular O-H⋯O hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.5958 (16) Å] are also present.

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(2,2'-Bipyridine-6,6'-dicarboxyl-ato-?(3)N,N',O(6))(6'-carb-oxy-2,2'-bipyridine-6-carboxyl-ato-?(3)N,N',O(6))cobalt(III).

Project description:The Co(III) atom in the title compound, [Co(C(12)H(6)N(2)O(4))(C(12)H(7)N(2)O(4))], is six-coordinated in a distorted octa-hedral geometry by four N atoms and two O atoms of the chelating 2,2'-bipyridine-6,6'-dicarboxyl-ate and 6'-carb-oxy-2,2'-bipyridine-6-carboxyl-ate ligands. Intermolecular O-H?O hydrogen bonds and face-to-face ?-stacking inter-actions [centroid-centroid distance = 3.6352?(16)?Å] between inversion-related pyridine rings link adjacent mononuclear units into a two-dimensional supra-molecular structure, and several inter-molecular C-H?O inter-actions are also observed.

| S-EPMC3343819 | biostudies-other

(?-5-Carboxy-benzene-1,3-dicarboxyl-ato-?O:O)bis-[bis-(2,2'-bipyridine-?N,N')copper(II)] 5-carboxy-benzene-1,3-dicarboxyl-ate 2,2'-bipyridine solvate trideca-hydrate.

Project description:The asymmetric unit of the title complex, [Cu(2)(C(9)H(4)O(6))(C(10)H(8)N(2))(4)](C(9)H(4)O(6))·C(10)H(8)N(2)·13H(2)O, comprises two formula units. The two Cu(II) centres are bridged by a 5-carb-oxy-benzene-1,3-dicarboxyl-ate (Hbtc) ligand. Each of the metal centres is bonded to four N atoms of two bidentate 2,2'-bipyridine ligands (bpy) and one O atom of the Hbtc ligand in a highly distorted square-pyramidal geometry. The secondary structure is stabilized by a variety of O-H?O hydrogen bonds and ?-? stacking inter-actions connecting the complex cations, Hbtc anions, bpy and water mol-ecules of crystallization. Three water molecules are disordered over two positions, with site occupancy factors of ca 0.8 and 0.2.

| S-EPMC2960318 | biostudies-other

Triaqua-(2,2'-bipyridine N,N'-dioxide-κO,O')(5-nitro-benzene-1,3-dicarboxyl-ato-κO)zinc(II).

Project description:In the title compound, [Zn(C(8)H(3)NO(6))(C(10)H(8)N(2)O(2))(H(2)O)(3)], the Zn(II) ion is coordinated in a distorted octa-hedral geometry by three water mol-ecules, one O atom from a 5-nitro-benzene-1,3-dicarboxyl-ate ligand and two O atoms from a chelating 2,2'-bipyridine N,N'-dioxide ligand. An extensive network of O-H⋯O hydrogen bonds is formed between the water mol-ecules and the carboxyl-ate groups. C-H⋯O inter-actions are also present.

| S-EPMC2969831 | biostudies-literature

Diaqua-(2,2'-bipyridine-5,5'-dicarboxyl-ato-κN,N')(ethyl-enediamine-κN,N')copper(II) 2.5-hydrate.

Project description:In the mol-ecule of the title compound, [Cu(C(12)H(6)N(2)O(4))(C(2)H(8)N(2))(H(2)O)(2)]·2.5H(2)O, the Cu(II) atom is six-coordinated in a distorted octa-hedral configuration by two N atoms from a 2,2'-bipyridine-5,5'-dicarboxyl-ate anion, two N atoms from ethyl-enediamine and two O atoms from two water mol-ecules. There are also two and a half water mol-ecules in the asymmetric unit. The planar five-membered ring is nearly coplanar with the adjacent pyridine rings, while the other five-membered ring adopts a twisted conformation, probably due to hydrogen bonding. In the crystal structure, intra- and inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules.

| S-EPMC2959425 | biostudies-literature

catena-Poly[[diaqua-(2,2'-bipyridine-κN,N')nickel(II)]-μ-biphenyl-2,2'-dicarboxyl-ato-κO:O'].

Project description:In the title compound, [Ni(C(14)H(8)O(4))(C(10)H(8)N(2))(H(2)O)(2)](n), the Ni(II) atom is coordinated in a slightly distorted octa-hedral geometry by two water mol-ecules, two N atoms from a 2,2'-bipyridine ligand and two O atoms from the carboxyl-ate groups of two 2,2'-biphenyl-dicarboxyl-ate (2,2'-dpa) ligands. The 2,2'-dpa ligand acts as a bridge between neighbouring Ni(II) atoms, forming one-dimensional coordination polymers along [100]. The coordinated water mol-ecules form hydrogen bonds to the carboxyl-ate O atoms of 2,2'-dpa within the same coordination polymer, and one O-H⋯π inter-action is also formed to 2,2'-dpa.

| S-EPMC2959859 | biostudies-literature

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