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Diaqua-[3,5-bis-(4-pyrid-yl)-1H-1,2,4-triazole-?N](pyridine-2,6-dicarboxyl-ato-?O,N,O)nickel(II).

ABSTRACT: In the title compound, [Ni(C(7)H(3)NO(4))(C(12)H(9)N(5))(H(2)O)(2)], the Ni(II) atom is coordinated in a distorted octa-hedral geometry by one N and two O atoms from a pyridine-2,6-dicarboxyl-ate ligand, one N atom from a 3,5-bis-(4-pyrid-yl)-1H-1,2,4-triazole ligand in equatorial positions and two water mol-ecules in axial positions. The crystal packing is consolidated by inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds.

SUBMITTER: Cheng FJ

PROVIDER: S-EPMC3051425 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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Diaqua-[3,5-bis-(4-pyrid-yl)-1H-1,2,4-triazole-κN](pyridine-2,6-dicarboxyl-ato-κO,N,O)nickel(II).

Cheng Feng-Jie FJ Wang Yi-Sen YS Liu Yan-Cheng YC

Acta crystallographica. Section E, Structure reports online 20110108 Pt 2

In the title compound, [Ni(C(7)H(3)NO(4))(C(12)H(9)N(5))(H(2)O)(2)], the Ni(II) atom is coordinated in a distorted octa-hedral geometry by one N and two O atoms from a pyridine-2,6-dicarboxyl-ate ligand, one N atom from a 3,5-bis-(4-pyrid-yl)-1H-1,2,4-triazole ligand in equatorial positions and two water mol-ecules in axial positions. The crystal packing is consolidated by inter-molecular O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds. ...[more]

PMID: 21522823

Similar Datasets

Bis[triaqua-(1H-1,2,4-triazole-3,5-dicarboxyl-ato-?O,N)copper(II)] di-?-aqua-bis-[diaqua-(1H-1,2,4-triazole-3,5-dicarboxyl-ato-?O,N)copper(II)].

Project description:In the title compound, [Cu(C(4)HN(3)O(4))(H(2)O)(3)](2)[Cu(2)(C(4)HN(3)O(4))(2)(H(2)O)(6)], both monomeric and dimeric mol-ecules are present in the solid state. In the monomeric compound, the Cu(II) atom is five-coordinated in a square-pyramidal configuration by one O atom and one N atom from one 1H-1,2,4-triazole-3,5-dicarboxyl-ate (TZDCA(2-)) ligand and three O atoms from water mol-ecules. In the centrosymmetric binuclear complex, each Cu(II) atom is six-coordinated in an octa-hedral geometry by one O atom and one N atom from one TZDCA(2-) ligand and four O atoms from water mol-ecules, two of which bridge the Cu(II) atoms. In the structure, there are intra-molecular O-H?O and N-H?O hydrogen bonds, and in the crystal, inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds link symmetry-related mol-ecules, forming a three-dimensional supra-molecular structure.

| S-EPMC2977176 | biostudies-literature

Poly[diaqua-(?(5)-pyridine-3,5-dicarboxyl-ato)strontium].

Project description:In the structure of the title compound, [Sr(C(7)H(3)NO(4))(H(2)O)(2)](n), the Sr(II) cation is eight-coordinated in form of a distorted dodeca-hedron by two water O atoms and by five O atoms and one N atom from five pyridine-3,5-dicarboxyl-ate anions. The bridging mode of the anions leads to the formation of a layered network parallel to (100). O-H?O hydrogen bonding between the coordinating water mol-ecules and the carboxyl-ate groups of adjacent layers consolidates the crystal packing. Weak C-H?O inter-actions are also observed.

| S-EPMC3379176 | biostudies-literature

(2-Amino-pyrimidine-?N)diaqua(pyridine-2,6-dicarboxyl-ato-?O,N,O)-nickel(II) monohydrate.

Project description:The reaction of Ni(NO(3))(2)·6H(2)O with pyridine-2,6-dicarboxylic acid, NaOH and 2-amino-pyrimidine in aqueous solution leads to the formation of the title complex, [Ni(C(7)H(3)NO(4))(C(4)H(5)N(3))(H(2)O)(2)]·H(2)O. The Ni(II) ion is coordinated by one N and two O atoms of the tridentate chelating pyridine-2,6-dicarboxyl-ate anion, one heterocyclic N atom of the 2-amino-pyrimidine ligand, and two water mol-ecules. The resulting geometry for the [NiN(2)O(4)] coordination environment can be described as distorted octa-hedral. One uncoord-inated water mol-ecule completes the asymmetric unit. Extensive O-H?O and N-H?O hydrogen-bonding inter-actions between the NH(2) group of 2-amino-pyrimidine, carboxyl-ate groups, and coordinated and uncoordinated water mol-ecules contribute to the formation of a three-dimensional supra-molecular structure.

| S-EPMC2979663 | 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

Poly[(μ(5)-2,6-dimethyl-pyridine-3,5-dicarboxyl-ato)zinc].

Project description:In the polymeric title complex, [Zn(C(9)H(7)NO(4))](n), the Zn(II) cation is located on a twofold rotation axis and is coordinated by five 2,6-dimethyl-pyridine-3,5-dicarboxyl-ate (mpdc) anions in a distorted ZnNO(4) trigonal-bipyramidal geometry. The mpdc anion is also located on the twofold rotation axis and bridges five Zn(II) cations, forming the three-dimensional polymeric complex. Weak C-H⋯π inter-actions are present in the crystal structure.

| S-EPMC3151958 | biostudies-literature

catena-Poly[[triaqua-zinc(II)]-?-1H-1,2,4-triazole-3,5-dicarboxyl-ato].

Project description:In the title compound, [Zn(C(4)HN(3)O(4))(H(2)O)(3)](n), each Zn(II) atom adopts a distorted octa-hedral coordination geometry, being surrounded by one chelating and one monodentate 1H-1,2,4-triazole-3,5-dicarboxyl-ate ligand and three water mol-ecules. Adjacent Zn(II) cations are linked by a 1H-1,2,4-triazole-3,5-dicarboxyl-ate ligand in a ?(2),?(3) fashion to form a chain running along the c axis. The crystal packing is stabilized by N-H?O, O-H?N and O-H?O hydrogen bonds.

| S-EPMC2960531 | biostudies-literature

[3-Chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato](pyridine-2,6-dicarboxyl-ato)nickel(II) dihydrate.

Project description:In the title compound, [Ni(C(11)H(9)ClN(3)O(2))(C(7)H(3)NO(4))]·2H(2)O, the Ni(II) atom is coordinated by two N atoms and one O atom of 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinate and by one N atom and two O atoms of pyridine-2,6-dicarboxyl-ate in a distorted octa-hedral coordination. In the crystal structure, mol-ecules are linked together by inter-molecular O-H?O hydrogen bonds. One water mol-ecule is disordered over two positions; the site occupancies are ca 0.53 and 0.47.

| S-EPMC2915123 | biostudies-literature

Poly[diaqua-(?(3)-pyridine-3,5-dicarboxyl-ato-?N:O:O)copper(II)].

Project description:The title complex, [Cu(C(7)H(3)NO(4))(H(2)O)(2)](n), was prepared under hydro-thermal reaction conditions. In the crystal structure, the Cu(II) cation is located on a twofold rotation axis and is coordinated by two carboxyl-ate O atoms and one N atom from three pyridine-3,5-dicarboxyl-ate (PDA) anions and two water mol-ecules with a distorted trigonal-bipyramidal geometry. The tridentate PDA anion is also located on the twofold rotation axis and bridges the Cu(II) cations to form a two-dimensional polymeric layer. O-H?O hydrogen bonding between layers links the two-dimensional layers into a three-dimensional supra-molecular framework.

| S-EPMC2977603 | biostudies-literature

4-(4-Pyrid-yl)pyridinium bis-(pyridine-2,6-dicarboxyl-ato)ferrate(III) tetra-hydrate.

Project description:In the title compound, (C(10)H(9)N(2))[Fe(C(7)H(3)NO(4))(2)]·4H(2)O or (bpyH)[Fe(pydc)(2)]·4H(2)O, the asymmetric unit contains an [Fe(pydc)(2)](-) (pydcH(2)= pyridine-2,6-dicarboxylic acid) anion, a protonated 4,4'-bipyridine as a counter-ion, (bpyH)(+), and four uncoordinated water mol-ecules. The anion is a six-coordinate complex with a distorted octa-hedral geometry around the Fe(III )atom. A wide range of non-covalent inter-actions, i.e. O-H?O, O-H?N and N-H?O hydrogen bonds, ion pairing, C-O?? [3.431?(2)?Å] and C-H?? stacking inter-actions result in the formation of a three-dimensional network structure.

| S-EPMC2983936 | biostudies-literature

4-(4-Pyrid-yl)pyridinium bis-(pyridine-2,6-dicarboxyl-ato)chromium(III) tetra-hydrate.

Project description:The title compound, (C(10)H(9)N(2))[Cr(C(7)H(3)NO(4))(2)]·4H(2)O or (4,4'-bipyH)[Cr(pydc)(2)]·4H(2)O (where 4,4'-bipy is 4,4'-bipyridine and pydcH(2) is pyridine-2,6-dicarboxylic acid), was synthesized by the reaction of chromium(III) chloride hexa-hydrate with pyridine-2,6-dicarboxylic acid and 4,4'-bipyridine in a 1:2:4 molar ratio in aqueous solution. This compound is composed of an anionic complex, [Cr(pydc)(2)](-), protonated 4,4'-bipyridine as a counter-ion, (4,4'-bipyH)(+), and four uncoordinated water mol-ecules. The anion is a six-coordinate complex with a distorted octa-hedral geometry around the Cr(III) atom, formed by two tridentate pyridine-2,6-dicarboxyl-ate, pydc(2-), groups. Inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, and C-O⋯π stacking inter-actions (with distances of 3.3390 (13) and 3.4575 (13) Å) connect the various components into a supra-molecular structure.

| S-EPMC2960993 | biostudies-literature

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