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3,5-Diamino-4H-1,2,4-triazol-1-ium hydroxonium bis-(pyridine-2,6-di-carboxyl-ato)cobaltate(II) pyridine-2,6-dicarb-oxy-lic acid monohydrate.

ABSTRACT: The asymmetric unit of the title complex, (C(2)H(6)N(5))(H(3)O)[Co(C(7)H(3)NO(4))(2)]·C(7)H(5)NO(4)·H(2)O, contains a Co(II) ion coordin-ated by four O atoms and two N atoms from two dipicolinate ligands in a disorted octa-hedral environment, a protonated triazole mol-ecule, a neutral pyridine-2,6-dicarb-oxy-lic acid mol-ecule, a hydroxonium ion and a solvent water mol-ecule. In the crystal, the components are linked into a three-dimensional framework by inter-molecular O-H?O, N-H?O and N-H?N and weak C-H?O hydrogen bonds. In addition, ?-? stacking inter-actions with centroid-centroid distances in the range 3.4809?(7)-3.8145?(6)?Å are observed.

SUBMITTER: Yousuf S

PROVIDER: S-EPMC3212175 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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3,5-Diamino-4H-1,2,4-triazol-1-ium hydroxonium bis-(pyridine-2,6-di-carboxyl-ato)cobaltate(II) pyridine-2,6-dicarb-oxy-lic acid monohydrate.

Yousuf S S Johnson A S AS Kazmi S A SA Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20110716 Pt 8

The asymmetric unit of the title complex, (C(2)H(6)N(5))(H(3)O)[Co(C(7)H(3)NO(4))(2)]·C(7)H(5)NO(4)·H(2)O, contains a Co(II) ion coordin-ated by four O atoms and two N atoms from two dipicolinate ligands in a disorted octa-hedral environment, a protonated triazole mol-ecule, a neutral pyridine-2,6-dicarb-oxy-lic acid mol-ecule, a hydroxonium ion and a solvent water mol-ecule. In the crystal, the components are linked into a three-dimensional framework by inter-molecular O-H⋯O, N-H⋯O and N-H⋯N an ...[more]

PMID: 22090877

Similar Datasets

Phenyl-hydrazinium (6-carb-oxy-pyridine-2-carboxyl-ato)(pyridine-2,6-dicarboxyl-ato)cobaltate(II)-pyridine-2,6-dicarb-oxy-lic acid-water (1/1/3).

Project description:The asymmetric unit of the title compound, (C(6)H(9)N(2))[Co(C(7)H(3)NO(4))(C(7)H(4)NO(4))]·C(7)H(5)NO(4)·3H(2)O, contains one (6-carb-oxy-pyridine-2-carboxyl-ato)(pyridine-2,6-dicarboxyl-ato)cobaltate(II) anion, one phenyl-hydrazinium cation, one pyridine-2,6-dicarb-oxy-lic acid mol-ecule and three uncoordin-ated water mol-ecules, part of which are disordered. The Co(II) ion is coordinated by a pyridine-2,6-dicarboxyl-ate ion and a 6-carb-oxy-pyridine-2-carboxyl-ate ligand almost perpendicular to each other [the angle between the least-squares planes is 87.38?(4)°] and is surrounded by two O atoms and two N atoms in the equatorial plane and two O atoms in axial positions, resulting in a distorted octa-hedral coordination geometry. There is an extensive three-dimensional network of O-H?O and N-H?O hydrogen bonds, which link the components.

| S-EPMC3011730 | biostudies-literature

3,5-Diamino-4H-1,2,4-triazol-1-ium (6-carb-oxy-pyridine-2-carboxyl-ato)(pyridine-2,6-dicarboxyl-ato)cuprate(II) trihydrate.

Project description:In the complex anion of the title compound, (C(2)H(6)N(5))[Cu(C(7)H(4)NO(4))(C(7)H(3)NO(4))]·3H(2)O, the Cu(II) atom is coordinated by tridentate 6-carb-oxy-pyridine-2-carboxyl-ate and pyridine-2,6-dicarboxyl-ate ligands and is surrounded by four O atoms in the equatorial plane and two N atoms in axial positions in a distorted octa-hedral geometry. In the crystal, the components are linked into a three dimensional network by O-H?O, N-H?O, N-H?N and C-H?O hydrogen bonds and a ?-? inter-action with a centroid-centroid distance of 3.6080?(8)?Å.

| S-EPMC3099907 | biostudies-other

Hydroxonium creatininium bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O)cobaltate(II) trihydrate.

Project description:The title compound, (C(4)H(8)N(3)O)(H(3)O)[Co(C(7)H(3)NO(4))(2)]·3H(2)O, contains a protonated creatininium cation, a hydrox-onium (H(3)O)(+) cation, a [Co(pydc)(2)](2-) (pydcH(2) = pyridine-2,6-dicarboxylic acid) complex anion, and three uncoordinated water mol-ecules. The Co(II) atom is coordinated by four O and two N atoms from two pydc ligands in a distorted octa-hedral environment. The structure also contains three uncoordinated water mol-ecules. Extensive inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds, ?-? stacking inter-actions [centroid-centroid distances = 3.565?(14) and 3.425?(14)?Å] and O?? inter-actions [O?centroid distance = 3.480?(2)?Å] connect the various components in the crystal structure.

| S-EPMC2969222 | biostudies-literature

Crystal structure of tetra-aqua-bis(3,5-di-amino-4H-1,2,4-triazol-1-ium)cobalt(II) bis-[bis-(pyridine-2,6-di-carboxyl-ato)cobaltate(II)] dihydrate.

Project description:The asymmetric unit of the title compound, [Co(C2H6N5)2(H2O)4][Co(C7H3NO4)2]2·2H2O, features 1.5 Co(II) ions (one anionic complex and one half cationic complex) and one water mol-ecule. In the cationic complex, the Co(II) atom is located on an inversion centre and is coordinated by two triazolium cations and four water mol-ecules, adopting an octa-hedral geometry where the N atoms of the two triazolium cations occupy the axial positions and the O atoms of the four water mol-ecules the equatorial positions. The two triazole ligands are parallel offset (with a distance of 1.38?Å between their planes). In the anionic complex, the Co(II) ion is six-coordinated by two N and four O atoms of the two pyridine-2,6-di-carboxyl-ate anions, exhibiting a slightly distorted octa-hedral coordination geometry in which the mean plane of the two pyridine-2,6-di-carboxyl-ate anions are almost perpendicular to each other, making a dihedral angle of 85.87?(2)°. In the crystal, mol-ecules are linked into a three-dimensional network via C-H?O, C-H?N, O-H?O and N-H?O hydrogen bonds.

| S-EPMC4459343 | biostudies-literature

2,6-Bis(4H-1,2,4-triazol-4-yl)pyridine dihydrate.

Project description:The asymmetric unit of the title compound, C(9)H(7)N(7)·2H(2)O, comprises three formula units. The dihedral angles between the triazole rings and the respective central pyridine rings are 4.87?(16)/1.39?(17), 6.46?(16)/7.61?(16) and 7.00?(16)/3.77?(17)°. The water mol-ecules form O-H?O hydrogen bonds between themselves and O-H?N hydrogen bonds with the N-atom acceptors of the triazole rings, producing a three-dimensional framework.

| S-EPMC3247355 | biostudies-literature

2,6-Bis(4H-1,2,4-triazol-4-yl)pyridine dihydrate.

Project description:In the asymmetric unit of the title compound, C(9)H(7)N(7)·2H(2)O, there are two formula units in which the two triazole rings of each of the organic component mol-ecules form dihedral angles of 7.0?(4)/6.9?(4) and 2.7?(4)/3.6?(4)° with the respective central pyridine rings. The four water mol-ecules of solvation form O-H?O hydrogen bonds among themselves and O-H?N bonds with the N-atom acceptors of the triazine rings, giving a three-dimensional framework structure.

| S-EPMC3151751 | biostudies-literature

Bis-(3,5-diamino-4H-1,2,4-triazol-1-ium) 3,4-dioxocyclo-butane-1,2-diolate.

Project description:The asymmetric unit of the title compound, 2C2H6N5(+)·C4O4(2-), contains two 3,5-diamino-4H-1,2,4-triazolium cations and one squarate dianion. The squaric acid mol-ecule donated one H atom to each of the two 3,5-diamino-1,2,4-triazole mol-ecules at their N atoms. The squaric acid dianion has four C-O bonds which are shorter than a normal single C-O bond (1.426?Å) and are slightly longer than a normal C=O bond (1.23?Å), which indicates the degree of electron delocalization in the dianion. In the crystal, the cations and dianions are linked by N-H?N and N-H?O hydrogen bonds into a three-dimensional network.

| S-EPMC3588514 | biostudies-literature

Tetra-kis(2,6-diamino-pyridinium) diphthalate 2,6-diamino-pyridine.

Project description:In the title compound, 4C(5)H(8)N(3) (+)·2C(8)H(4)O(4) (2-)·C(5)H(7)N(3), the asymmetric unit consists of two protonated diamino-pyridine cations, one phthalate anion and one half of a diamino-pyridine mol-ecule, which has twofold rotation symmetry and is disordered over two positions with a site-occupancy ratio of 0.534?(3):0.466?(3). In the disordered structure, both pyridine rings are essentially planar, with maximum deviations of 0.011?(2) and 0.006?(2)?Å, and these two rings are inclined to one another at a dihedral angle of 79.86?(10)°. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link the ions and mol-ecules into a three-dimensional network. The structure is further stabilized by C-H?? inter-actions.

| S-EPMC2971263 | biostudies-literature

4,4'-Bipyridine-pyridine-3,5-dicarb-oxy-lic acid (3/4).

Project description:In the title compound, 3C(10)H(8)N(2)·4C(7)H(5)NO(4), the asymmetric unit contains two mol-ecules of pyridine-3,5-dicarb-oxy-lic acid and one mol-ecule of 4,4'-bipyridine in general positions together with one mol-ecule of 4,4'-bipyridine lying across a centre of inversion, thus giving a 4:3 molar ratio of pyridine-3,5-dicarb-oxy-lic acid to 4,4'-bipyridine. The dihedral angle between the bipyridine rings on general positions is 21.2?(2)°. These mol-ecular units are linked by O-H?N hydrogen bonds forming an extended two-dimensional framework in the crystal.

| S-EPMC3213482 | biostudies-literature

Crystal structures of 2,6-bis-[(1H-1,2,4-triazol-1-yl)meth-yl]pyridine and 1,1-[pyridine-2,6-diylbis(methyl-ene)]bis-(4-methyl-1H-1,2,4-triazol-4-ium) iodide triiodide.

Project description:In the structures of the 2,6-bis-(1,2,4-triazoly-3-yl)methyl-substituted pyridine compound, C11H11N7, (I) and the iodide triiodide salt, C13H17N7 (2+)·I(-)·I3 (-), (II), the dihedral angles between the two triazole rings and the pyridine ring are 66.4 (1) and 74.6 (1)° in (I), and 68.4 (2)° in (II), in which the dication lies across a crystallographic mirror plane. The overall packing structure for (I) is two-dimensional with the layers lying parallel to the (001) plane. In (II), the triiodide anion lies within the mirror plane, occupying the space between the two triazole substituent groups and was found to have minor disorder [occupancy ratio 0.9761 (9):0.0239 (9)]. The overall packing of structure (II) can be described as two-dimensional with the layers stacking parallel to the (001) plane. In the crystal, the predominant inter-molecular inter-actions in (I) and (II) involve the acidic hydrogen atom in the third position of the triazole ring, with either the triazole N-atom acceptor in weak C-H⋯N hydrogen bonds in (I), or with halide counter-ions through C-H⋯I inter-actions, in (II).

| S-EPMC4384632 | biostudies-literature

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