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Aqua-(2,2'-diamino-4,4'-bi-1,3-thia-zole-?N,N)(pyridine-2,6-dicarboxyl-ato-?O,N,O)zinc tetra-hydrate.

ABSTRACT: The title compound, [Zn(C(7)H(3)NO(4))(C(6)H(6)N(4)S(2))(H(2)O)]·4H(2)O, assumes a distorted octa-hedral coordination geometry around the Zn(2+) cation, formed by a diamino-bithia-zole (DABT) mol-ecule, a pyridine-2,6-dicarboxyl-ate anion and a water mol-ecule. The pyridine-2,6-dicarboxyl-ate anion chelates to the Zn(II) atom with a facial configuration. Within the chelating DABT ligand, the two thia-zole rings are twisted by a dihedral angle of 14.52?(8)° with respect to each other. O-H?O and N-H?O hydrogen bonds occur in the crystal structure.

SUBMITTER: Wang YL

PROVIDER: S-EPMC3120585 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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Aqua-(2,2'-diamino-4,4'-bi-1,3-thia-zole-κN,N)(pyridine-2,6-dicarboxyl-ato-κO,N,O)zinc tetra-hydrate.

Wang Yan-Li YL Chang Guang-Jun GJ Liu Bing-Xin BX

Acta crystallographica. Section E, Structure reports online 20110507 Pt 6

The title compound, [Zn(C(7)H(3)NO(4))(C(6)H(6)N(4)S(2))(H(2)O)]·4H(2)O, assumes a distorted octa-hedral coordination geometry around the Zn(2+) cation, formed by a diamino-bithia-zole (DABT) mol-ecule, a pyridine-2,6-dicarboxyl-ate anion and a water mol-ecule. The pyridine-2,6-dicarboxyl-ate anion chelates to the Zn(II) atom with a facial configuration. Within the chelating DABT ligand, the two thia-zole rings are twisted by a dihedral angle of 14.52 (8)° with respect to each other. O-H⋯O and N ...[more]

PMID: 21754591

Similar Datasets

Tetra-aqua-(2,2'-diamino-4,4'-bi-1,3-thia-zole-?N,N)nickel(II) bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O)nickel(II) trihydrate.

Project description:The crystal structure of the title compound, [Ni(C(6)H(6)N(4)S(2))(H(2)O)(4)][Ni(C(7)H(3)NO(4))(2)]·3H(2)O, consists of Ni(II) complex cations, Ni(II) complex anions and lattice water mol-ecules. The Ni(II) ions in both the complex cation and anion assume a distorted octa-hedral coordination geometry. O-H?O, N-H?O and C-H?S hydrogen bonds occur in the crystal structure.

| S-EPMC2968453 | biostudies-literature

Aqua-(2,2'-bipyrid-yl)(pyrazine-2,6-dicarboxyl-ato)nickel(II) 1.25-hydrate.

Project description:The asymmetric unit of the title compound, [Ni(C(6)H(2)N(2)O(4))(C(10)H(8)N(2))(H(2)O)]·1.25H(2)O, contains two independent chemically identical Ni(II) complex cations and two and a half solvent water mol-ecules. The Ni(II) ions are in slightly distorted coordination environments. In the crystal structure, inter-molecular O-H⋯O and weak C-H⋯O hydrogen bonds link cations and water mol-ecules into a three-dimensional network. One of the three uncoordinated water molecules is half-occupied.

| S-EPMC2959726 | biostudies-literature

Bis(?-imino-diacetato)bis-[(2,2'-diamino-4,4'-bi-1,3-thia-zole)lead(II)] tetra-hydrate.

Project description:In the crystal structure of the title compound, [Pb(2)(C(4)H(5)NO(4))(2)(C(6)H(6)N(4)S(2))(2)]·4H(2)O, the dinuclear Pb(II) complex mol-ecule is centrosymmetric. The Pb atom is chelated by a tridentate imino-diacetate anion (IDA) and a diamino-bithia-zole (DABT) ligand, while a carboxyl-ate O atom from an adjacent IDA anion further bridges the Pb atom with a longer Pb-O bond [2.892?(3)?Å]. The lone-pair electrons of the Pb atom occupy an axial site in the ?-penta-gonal-bipyramidal coordination polyhedron. The IDA anion displays a facial configuration: its chelating five-membered rings assume an envelope configuration. Within the DABT ligand, the two thia-zole rings are twisted relative to each other, making a dihedral angle of 9.51?(17)°. Extensive N-H?O, O-H?O and weak C-H?O hydrogen bonding helps to stabilize the crystal structure.

| S-EPMC2983700 | biostudies-literature

Aqua-(2,2'-diamino-4,4'-bi-1,3-thia-zole-?N,N)(thio-diacetato-?O,S,O')nickel(II) monohydrate.

Project description:In the title compound, [Ni(C(4)H(4)O(4)S)(C(6)H(6)N(4)S(2))(H(2)O)]·H(2)O, the Ni(II) cation assumes a distorted octa-hedral coordination geometry formed by a diamino-bithia-zole (DABT) ligand, a thio-diacetate (TDA) dianion and a coordinated water mol-ecule. The tridentate TDA chelates to the Ni cation in a facial configuration, and both chelating rings display the envelope conformations. The two thia-zole rings of the DABT ligand are twisted with respect to each other, making a dihedral angle of 9.96?(9)°. Extensive O-H?O, N-H?O and weak C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3120560 | biostudies-literature

Hexaaqua-nickel(II) tetra-aqua-bis-(?-pyridine-2,6-dicarboxyl-ato)bis-(pyridine-2,6-dicarboxyl-ato)trinickelate(II) octa-hydrate.

Project description:The title compound, [Ni(H(2)O)(6)][Ni(3)(C(7)H(3)NO(4))(4)(H(2)O)(4)]·8H(2)O, was obtained by the reaction of nickel(II) nitrate hexa-hydrate with pyridine-2,6-dicarb-oxy-lic acid (pydcH(2)) and 1,10-phenanothroline (phen) in an aqueous solution. The latter ligand is not involved in formation of the title complex. There are three different Ni(II) atoms in the asymmetric unit, two of which are located on inversion centers, and thus the [Ni(H(2)O)(6)](2+) cation and the trinuclear {[Ni(pydc)(2)](2)-?-Ni(H(2)O)(4)}(2-) anion are centrosymmetric. All Ni(II) atoms exhibit an octa-hedral coordination geometry. Various inter-actions, including numerous O-H?O and C-H?O hydrogen bonds and C-O?? stacking of the pyridine and carboxyl-ate groups [3.570?(1), 3.758?(1) and 3.609?(1)?Å], are observed in the crystal structure.

| S-EPMC3007465 | biostudies-literature

catena-Poly[4,4'-bipyridinium [[tetra-aqua-(pyridine-2,6-dicarboxyl-ato-κO,N,O)cerate(III)]-μ-pyridine-2,6-dicarboxyl-ato-κO:O,N,O-[(pyridine-2,6-dicarboxyl-ato-κO,N,O)cerate(III)]-μ-pyridine-2,6-dicarboxyl-ato-κO,N,O:O] penta-hydrate].

Project description:The title compound, {(C(10)H(10)N(2))[Ce(2)(C(7)H(3)NO(4))(4)(H(2)O)(4)]·5H(2)O}(n), is composed of a one-dimensional anionic complex, a doubly protonated 4,4'-bipyridine mol-ecule as a counter-ion and five uncoordinated water mol-ecules. The anion bears two nine-coordinate Ce(III) ions, each with a distorted tricapped trigonal-prismatic geometry. In the crystal, inter-molecular C-H⋯O, N-H⋯O and O-H⋯O hydrogen bonds, as well as π-π inter-actions with centroid-centroid distances of 3.514 (3) Å connect the various components into a supra-molecular structure.

| S-EPMC3051934 | biostudies-literature

Poly[[dodeca-aqua-bis-(?(3)-pyridine-2,6-dicarboxyl-ato)tetra-kis-(?(2)-pyridine-2,6-dicarboxyl-ato)tri-calciumdieuropium(III)] 10.5-hydrate].

Project description:In the title compound, {[Ca(3)Eu(2)(C(7)H(3)NO(4))(6)(H(2)O)(12)]·10.5H(2)O}(n), the Eu(III) ion is nine-coordinated by three tridentate pyridine-2,6-dicarboxyl-ate (PDA) ligands, forming a [Eu(PDA)(3)](3-) building block. The Ca(2+) ions adopt two types of coordination geometries. One Ca(2+) ion, lying on a twofold rotation axis, is eight-coordinated by four carboxyl-ate O atoms from four PDA ligands and four water mol-ecules, and the other two Ca(2+) ions, each lying on an inversion center, are six-coordinated by two carboxyl-ate O atoms from two PDA ligands and four water mol-ecules. The carboxyl-ate groups bridge the Eu(III) and Ca(2+) ions into a three-dimensional porous framework, with channels extending along [010] and [001] in which lattice water mol-ecules are located. Two of the lattice water mol-ecules are disordered over two sets of sites with equal occupancy and one water mol-ecule is 0.25-occupied. Numerous O-H?O hydrogen bonds involving the water mol-ecules and carboxyl-ate O atoms are present.

| S-EPMC3344405 | biostudies-literature

Bis(2,3-diamino-pyridinium) bis-(μ-pyridine-2,6-dicarboxyl-ato)-κO,N,O:O;κO:O,N,O-bis-[aqua-(pyridine-2,6-dicarboxyl-ato-κO,N,O)bis-muthate(III)] tetra-hydrate.

Project description:In the centrosymmetric dinuclear complex anion of the title compound, (C(5)H(8)N(3))(2)[Bi(2)(C(7)H(3)NO(4))(4)(H(2)O)(2)]·4H(2)O, the Bi(III) atom is eight-coordinated in an N(2)O(6) environment and has a distorted bicapped trigonal-prismatic coordination environment. Extensive inter-molecular O-H⋯O, N-H⋯O and weak C-H⋯O hydrogen bonds lead to the stability of the crystal structure. Inter-actions between one C-H group of the 2,3-diamino-pyridinium [(2,3-dapyH)(+)] cation and the aromatic ring of the pyridine-2,6-dicarboxyl-ate (pydc) ligand (C-H⋯centroid distance = 2.78 Å) and π-π inter-actions between the (2,3-dapyH)(+) cations and between the (2,3-dapyH)(+) cation and the pydc ligand [centroid-centroid distances = 3.489 (5) and 3.694 (5) Å] are observed.

| S-EPMC3052092 | biostudies-literature

Aqua-(4-hydroxy-pyridine-2,6-dicarboxyl-ato)(1,10-phenanothroline)copper(II) 4.5-hydrate.

Project description:The title compound, [Cu(C(7)H(3)NO(5))(C(12)H(8)N(2))(H(2)O)]·4.5H(2)O or [Cu(hypydc)(phen)(H(2)O)]·4.5H(2)O (phen is 1,10-phenanthroline and hypydcH(2) is 4-hydroxy-pyridine-2,6-dicarboxylic acid), was obtained by the reaction of copper(II) nitrate hexa-hydrate with the proton-transfer compound (phenH)(2)(hypydc) in aqueous solution. Both the cationic and the anionic fragments of the proton-transfer compound are involved in complexation. Each Cu(II) atom has a distorted octa-hedral geometry. It is hexa-coordinated by three O atoms and three N atoms, from one phen fragment (as bidentate ligand), one (hypydc)(2-) unit (as tridentate ligand) and a water mol-ecule. In the crystal structure, O-H⋯O and C-H⋯O hydrogen bonds, and π-π stacking inter-actions [centroid-to-centroid distance 3.5642 (11) Å] between the phen ring systems, contribute to the formation of a three-dimensional supra-molecular structure.

| S-EPMC2915167 | biostudies-literature

Bis(?-biphenyl-2,2'-dicarboxyl-ato)bis-[aqua-(4,4'-dimethyl-2,2'-bipyridine-?N,N')copper(II)].

Project description:The mol-ecule of the title binuclear copper(II) complex, [Cu(2)(C(14)H(8)O(4))(2)(C(12)H(12)N(2))(2)(H(2)O)(2)], is bis-ected by a crystallographic twofold axis. Each Cu(II) atom is coordinated in a distorted octa-hedral geometry by three O atoms from two biphen-yl-2,2'-dicarboxyl-ate anions, one aqua O atom and two N atoms of a 4,4'-dimethyl-2,2'-bipyridine ligand. Intramolecular O-H?O hydrogen bonds between the coordinated water molecules and the carboxylate O atoms are also present.

| S-EPMC2971185 | biostudies-literature

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