Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tetraaqua-tetrakis-{?(2)-[1-(carb-oxylato-meth-yl)cyclo-hex-yl]methanaminium}bis(?(3)-hydroxido)bis(nitrato-?O,O')tetrazinc(II).

ABSTRACT: As the title gabapentin complex, [Zn(4)(OH)(2)(NO(3))(2)(C(9)H(17)NO(2))(4)(H(2)O)(4)](NO(3))(4) is located about a centre of inversion, the asymmetric unit contains two disordered nitrate ions and half a complex mol-ecule. The two zinc ions have different coordination environments: one is slightly distorted octa-hedral and the other is trigonal-pyramidal. The conformation of the gabapentin mol-ecule is defined by the formation of two intra-molecular O-H?O hydrogen bonds. Furthermore, the ammonium H atoms are involved in numerous hydrogen bonds with the disordered nitrate anions.

SUBMITTER: de Vries EJ

PROVIDER: S-EPMC3089351 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tetraaqua-tetrakis-{μ(2)-[1-(carb-oxylato-meth-yl)cyclo-hex-yl]methanaminium}bis(μ(3)-hydroxido)bis(nitrato-κO,O')tetrazinc(II).

de Vries Elise J C EJ Gamble Caryn C Shaikjee Ahmed A

Acta crystallographica. Section E, Structure reports online 20110413 Pt 5

As the title gabapentin complex, [Zn(4)(OH)(2)(NO(3))(2)(C(9)H(17)NO(2))(4)(H(2)O)(4)](NO(3))(4) is located about a centre of inversion, the asymmetric unit contains two disordered nitrate ions and half a complex mol-ecule. The two zinc ions have different coordination environments: one is slightly distorted octa-hedral and the other is trigonal-pyramidal. The conformation of the gabapentin mol-ecule is defined by the formation of two intra-molecular O-H⋯O hydrogen bonds. Furthermore, the ammoni ...[more]

PMID: 21754301

Similar Datasets

[1-(Carb-oxy-meth-yl)cyclo-hex-yl]methanaminium nitrate.

Project description:The title compound, C(9)H(18)NO(2) (+)·NO(3) (-), is an anhydrous nitrate salt of gabapentin, which is formed serendipitously in the presence of selected non-coordinating metals. The crystal structure involves extensive hydrogen bonding between the -NH(3) (+) and -COOH groups and the nitrate anion.

| S-EPMC3051645 | biostudies-literature

[Aqua-bis-(nitrato-κO)copper(II)]-μ-{bis-[5-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl]selenide}-[diaqua-(nitrato-κO)copper(II)] nitrate monohydrate.

Project description:In the title binuclear complex, [Cu2(NO3)3(C18H16N6Se)(H2O)3]NO3·H2O, the Cu(II) ions are penta-coordinated in a tetra-gonal-pyramidal geometry. In both cases, the equatorial planes are formed by a chelating pyrazole-pyridine group, a water mol-ecule and a nitrate O atom, whereas the apical positions are occupied by a water mol-ecule for one Cu(II) ion and a nitrate O atom for the other. The organic selenide ligand adopts a trans configuration with respect to the C-Se-C plane. Numerous inter-molecular O-H⋯O and N-H⋯O hydrogen bonds between the coordinating and lattice water mol-ecules, nitrate anions and pyrazole groups are observed. π-π stacking inter-actions between the pyridine rings [averaged centroid-centroid distance = 3.652 (5) Å] are also present. The lattice water molecule is equally disordered over two sets of sites.

| S-EPMC3588734 | biostudies-literature

Bis(μ-chloroacetato-κO:O')bis(chloro-acetato-κO)di-μ(3)-oxido-tetrakis[dibenzyl-tin(IV)].

Project description:The title tetra-nuclear complex mol-ecule, [Sn(4)(C(7)H(7))(8)(C(2)H(2)ClO(2))(4)O(2)], has crystallographically imposed inversion symmetry. Each Sn atom has a distorted trigonal-bipyramidal geometry, with the equatorial plane formed by an oxido O atom and two C atoms of two benzyl anions. The configuration of the complex is stabilized by a pair of C-H⋯O hydrogen bonds. In the crystal, complex mol-ecules are linked into zigzag chains along [110] by C-H⋯O hydrogen bonds.

| S-EPMC3051761 | biostudies-literature

Bis[μ-4-(1H-imidazol-3-ium-1-yl)benzoato-κO:O']bis-[(methanol)tris-(nitrato-κO,O')terbium(III)].

Project description:In the centrosymmetric dinuclear title complex, [Tb(2)(NO(3))(6)(C(10)H(8)N(2)O(2))(2)(CH(3)OH)(2)], the Tb atoms are bridged by the carboxyl-ate groups of the two 4-(1H-imidazol-3-ium-1-yl)benzoate (iba) ligands. The iba ligand adopts a zwitterionic form with a protonated imidazole group. The Tb atom adopts a distorted tricapped trigonal-prismatic coordination geometry and is coordinated by six O atoms of three chelating nitrate ions, one O atom of the methanol mol-ecule and two O atoms of two iba ligands. The intra-molecular Tb⋯Tb separation is 5.1419 (3) Å. O-H⋯O and N-H⋯O hydrogen bonds connect complex mol-ecules into a two-dimensional network.

| S-EPMC3051581 | biostudies-literature

Bis[(2-amino-phen-yl)methanol-κO,N]bis-(nitrato-κO)manganese(II).

Project description:In the title compound, [Mn(NO(3))(2)(C(7)H(9)NO)(2)], the Mn(II) atom (site symmetry 2) is coordinated by two N,O-bidentate (2-amino-phen-yl)methanol ligands and two monodentate nitrate anions in a distorted cis-MnN(2)O(4) octa-hedral coordination geometry. In the crystal, N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds help to establish the packing.

| S-EPMC3007911 | biostudies-literature

μ-2,3,5,6-Tetra-2-pyridylpyrazine-κN,N,N:κN,N,N-bis-[(methanol-κO)(nitrato-κO,O')(nitrato-κO)cadmium(II)].

Project description:The title complex, [Cd(2)(NO(3))(4)(C(24)H(16)N(6))(CH(4)O)(2)], displays a centrosymmetric dinuclear structure, in which the 2,3,5,6-tetra-2-pyridinylpyrazine (tppz) ligand links two Cd ions separated by 7.323 (4) Å. Each Cd(II) center is seven-coordinated by three N-atom donors of tppz in one plane, by two O atoms nearly normal to this plane, and by two O atoms 0.393 (3) and 0.488 (3) Å from that plane. The two Cd(II) ions are above and below the plane of the pyrazine ring of the tppz ligand, oriented with respect to the pyridine rings at dihedral angles of 38.01 (3) and 31.90 (3)°. The dihedral angle between the two pyridine rings is 41.11 (3)°. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules.

| S-EPMC2961967 | biostudies-literature

Phyllo-poly[[μ(2)-1,4-bis-(cyclo-hexyl-sulfanylmeth-yl)benzene-κS:S'](μ(2)-nitrato-κO:O')silver(I)].

Project description:The title compound, [Ag(NO(3))(C(20)H(30)S(2))](n), was synthesized by the reaction of silver nitrate and 1,4-bis-(cyclo-hexyl-thio-meth-yl)benzene (bctmb) in acetonitrile. The coordination polymer exhibits a two-dimensional layer structure. The layers are wave-like and parallel to the crystallographic ac plane; Ag(I) ions are linked by the bctmb ligands and nitrate anions along the crystallographic a and c directions, respectively. In addition, the crystal structure is stabilized by C-H⋯O hydrogen bonds.

| S-EPMC2969017 | biostudies-literature

[μ-2,2,4,4,6,6-Hexakis(3,5-dimethyl-pyrazol-1-yl)-2λ,4λ,6λ-1,3,5,2,4,6-triaza-triphosphinine]bis-[bis-(nitrato- κO,O')cadmium(II)].

Project description:The complete title complex, [Cd(2)(NO(3))(4)(C(30)H(42)N(15)P(3))], is generated by crystallographic twofold symmetry, with one P and one N atom of the cyclo-triphosphazene ligand located on the rotation axis. The non-planar cyclo-triphosphazene ring accommodates two Cd ions, and only four out of six exocylcic pyrazolyl ligands are bound to the Cd metal atoms. Each of these two symmetry-related Cd atoms is coordinated by two bidentate nitrato ligands, two exocylic pyrazolyl N atoms, and one cyclo-triphosphazene N atom.

| S-EPMC2959902 | biostudies-literature

catena-Poly[[[(2,2'-bipyridine-κN,N')(dimethyl sulfoxide-κO)(nitrato-κO,O')bis-muth(III)]-μ-5-carb-oxy-benzene-1,3-dicarboxyl-ato-κO,O:O,O] dimethyl sulfoxide monosolvate].

Project description:The polymeric title compound, {[Bi(C(9)H(4)O(6))(NO(3))(C(10)H(8)N(2))(C(2)H(6)OS)]·C(2)H(6)OS}(n), was obtained by the reaction of bis-muth(III) nitrate, bipyridine (bpy) and 1,3,5-benzene-tricarb-oxy-lic acid (H(3)BTC). The Bi(III) ion is coordinated in a distorted tricapped trigonal-prismatic geometry, defined by two N atoms of the bipy ligand, four O atoms of two HBTC(2-) anions, two O atoms of a nitrate anion and one O atom of a dimethyl sulfoxide ligand. The crystal packing is stabilized by O-H⋯O and C-H⋯O hydrogen bonds. The S atom of the non-coordinating dimethyl sulfoxide mol-ecule is disordered over two sets of sites with refined site-occupancies of 0.430 (19) and 0.570 (19).

| S-EPMC3052002 | biostudies-literature

Bis[(2-amino-phen-yl)methanol-κN,O]bis-(nitrato-κO)zinc(II).

Project description:In the title compound, [Zn(NO(3))(2)(C(7)H(9)NO)(2)], the Zn(II) atom, lying on a twofold rotation axis, is six-coordinated in a distorted octa-hedral geometry by two N atoms and two O atoms from two (2-amino-phen-yl)methanol ligands and two O atoms from two monodentate nitrate anions. Inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds stabilize the crystal structure.

| S-EPMC3007881 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data