Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Hexaaqua-nickel(II) bis-{4-[(2-chlorothia-zol-5-yl)meth-oxy]benzoate} dihydrate.

ABSTRACT: In the title compound, [Ni(H(2)O)(6)](C(11)H(7)ClNO(3)S)(2)·2H(2)O, the Ni(II) atom lies on an inversion center and is six-coordinate in an octa-hedral environment of water mol-ecules. The cation and anion are linked through O-H?O hydrogen bonding involving the coordinated and uncoordinated water mol-ecules into a three-dimensional network.

SUBMITTER: Zhang HK

PROVIDER: S-EPMC2960908 | biostudies-other | 2008

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Hexaaqua-nickel(II) bis-{4-[(2-chlorothia-zol-5-yl)meth-oxy]benzoate} dihydrate.

Zhang Hong-Kun HK Gao Jin-Sheng JS Jiang Xiao-Hui XH Hou Guang-Feng GF

Acta crystallographica. Section E, Structure reports online 20080329 Pt 4

In the title compound, [Ni(H(2)O)(6)](C(11)H(7)ClNO(3)S)(2)·2H(2)O, the Ni(II) atom lies on an inversion center and is six-coordinate in an octa-hedral environment of water mol-ecules. The cation and anion are linked through O-H⋯O hydrogen bonding involving the coordinated and uncoordinated water mol-ecules into a three-dimensional network. ...[more]

PMID: 21202033

Similar Datasets

Hexaaqua-cobalt(II) bis-[4-(pyridin-2-yl-meth-oxy)benzoate] dihydrate.

Project description:The Co(II) atom in the title salt, [Co(H(2)O)(6)](C(13)H(10)NO(3))(2)·2H(2)O, lies on a center of inversion in an octa-hedron of water mol-ecules. The cations, anions and uncoordinated water mol-ecules are linked by O-H⋯O and O-H⋯N hydrogen bonds into a three-dimensional network. The anion is essentially planar, with an r.m.s. deviation of all non-H atoms of 0.066 Å.

| S-EPMC3246947 | biostudies-literature

Hexaaqua-manganese(II) bis-[4-(pyridin-2-ylmeth-oxy)benzoate] dihydrate.

Project description:The Mn(II) atom in the title salt, [Mn(H(2)O)(6)](C(13)H(10)NO(3))(2)·2H(2)O, lies on a center of inversion in an octa-hedron of water mol-ecules. The cations, anions and uncoordinated water mol-ecules are linked by O-H⋯O and O-H⋯N hydrogen bonds into a three-dimensional network. The anion is essentially planar, with an r.m.s. deviation of all non-H atoms of 0.068 Å.

| S-EPMC3246948 | biostudies-literature

Diaqua-bis-(4-meth-oxy-benzoato-?O)bis-(nicotinamide-?N)nickel(II) dihydrate.

Project description:In the mononuclear title compound, [Ni(C(8)H(7)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, the Ni(II) ion is located on a crystallographic inversion center. The asymmetric unit further contains one 4-meth-oxy-benzoate anion, one nicotinamide (NA) ligand and one coordinated and one uncoordinated water mol-ecule; all ligands are monodentate. The four O atoms in the equatorial plane around the Ni(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 7.2?(1)°, while the pyridine and benzene rings are oriented at a dihedral angle of 72.80?(4)°. An intra-molecular O-H?O hydrogen bond links the uncoordinated water mol-ecule to one of the carboxyl-ate groups. In the crystal structure, inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3007542 | biostudies-literature

Hexaaqua-cobalt(II) bis-(5-acetyl-2-hy-droxy-benzoate) dihydrate.

Project description:In the title compound, [Co(H(2)O)(6)](C(9)H(7)O(4))(2)·2H(2)O, the Co(2+) cation lies on a twofold rotation axis and is coordinated by six water mol-ecules in a distorted octa-hedral geometry. In the 5-acetyl-2-hy-droxy-benzoate anion, the hy-droxy group links with the carboxyl-ate group via an intra-molecular O-H?O hydrogen bond and the acetyl group is twisted to the benzene ring at a dihedral angle of 16.99?(12)°. In the crystal structure, the cations, anions and water mol-ecules are linked by extensive O-H?O hydrogen bonding.

| S-EPMC3238644 | biostudies-literature

Bis(6-meth-oxy-2-{[tris-(hydroxy-meth-yl)-meth-yl]-imino-meth-yl}phenolato)-copper(II) dihydrate.

Project description:In the title compound, [Cu(C(12)H(16)NO(5))(2)]·2H(2)O, the Cu(II) ion adopts a trans-CuN(2)O(4) octa-hedral geometry arising from two N,O,O'-tridentate 6-meth-oxy-2-{[tris-(hydroxy-meth-yl)meth-yl]-imino-meth-yl}phenolate ligands. The Jahn-Teller distortion of the copper centre is unusally small. In the crystal structure, O-H?O hydrogen bonds, some of which are bifurcated, link the component species.

| S-EPMC2968260 | biostudies-literature

Hexaaqua-cobalt(II) bis-{[N-(4-meth-oxy-2-oxidobenzyl-idene)glycylglycinato]nickel(II)} hexa-hydrate.

Project description:In the title compound, [Co(H(2)O)(6)][Ni(C(12)H(11)N(2)O(5))](2)·6H(2)O, the Ni(II) atom has a nearly square-planar coordination with two N and two O atoms of the N-(4-meth-oxy-2-oxidobenzyl-idene)glycylglycinate Schiff base ligand (L(3-)). The Co(II) atom sits on an inversion center and is coordinated to six aqua ligands in a slightly distorted octa-hedral geometry. The [Co(H(2)O)(6)](2+) cations and [NiL](-) anions form columns along the a axis by O-H?O hydrogen bonds. Additional hydrogen bonds between the uncoordinated and coordinated water molecules help to consolidate the crystal packing.

| S-EPMC2977345 | biostudies-literature

Butane-1,4-diaminium 2-(meth-oxy-carbon-yl)benzoate dihydrate.

Project description:In the title compound, C(4)H(14)N(2) (+)·2C(9)H(7)O(4) (-)·2H(2)O, the butane-1,4-diaminium cation lies on an inversion center. In the crystal, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link the components into layers parallel to (100). Addtional stabilization within these layers is provided by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3052138 | biostudies-literature

Tetra-aqua-bis(isonicotinamide-κN)nickel(II) bis-(4-formyl-benzoate) dihydrate.

Project description:The asymmetric unit of the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(8)H(5)O(3))(2)·2H(2)O, contains one-half of the complex cation with the Ni(II) atom located on an inversion center, a 4-formyl-benzoate (FB) counter-anion and an uncoordinated water mol-ecule. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement and the slightly distorted octa-hedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a sligthly longer distance in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 8.14 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.46 (6)°. In the crystal structure, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.751 (1) Å] may further stabilize the crystal structure.

| S-EPMC2970033 | biostudies-literature

Bis{2-meth-oxy-6-[3-(methyl-amino)propyl-imino-meth-yl]phenolato}nickel(II) bis-(perchlorate).

Project description:The asymmetric unit of the title compound, [Ni(C(12)H(18)N(2)O(2))(2)](ClO(4))(2), consists of one-half of a centrosymmetric mononuclear Schiff base nickel(II) complex cation and one perchlorate anion. The Ni(II) ion, lying on the inversion center, is coordinated by two N atoms and two O atoms from two Schiff base ligands, forming a square-planar geometry. The crystal packing is stabilized by N-H⋯O hydrogen bonds.

| S-EPMC2961174 | biostudies-literature

Bis{2-[imino-(phen-yl)meth-yl]-5-meth-oxy-phenolato-?(2)N,O(1)}nickel(II).

Project description:The title complex, [Ni(C(14)H(12)NO(2))(2)], lies about an inversion center. The Ni(II) atom is coordinated in a slightly distorted square-planar geometry by two O atoms and two N atoms from two 2-[imino-(phen-yl)meth-yl]-5-meth-oxy-phenolate ligands. The dihedral angle between the symmetry-unique phenyl and benzene rings is 73.2?(1)°.

| S-EPMC3515134 | 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