Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Imidazolium trans-di-aqua-dioxalato-chromate(III) dihydrate.

ABSTRACT: In the title hydrated mol-ecular salt, (C3H5N2)[Cr(C2O4)2(H2O)2]·2H2O, the complete cation is generated by a crystallographic twofold rotation axis, with one C atom lying on the rotation axis. The complete anion is generated by crystallographic inversion symmetry (Cr(III) site symmetry -1), to generate a slightly distorted CrO6 octa-hedron with trans water mol-ecules and chelating oxalate dianions. The oxalate ion is almost planar (r.m.s. deviation = 0.017?Å) and the five-membered chelate ring is a shallow envelope with the metal ion displaced by 0.126?(1)?Å from the ligand atoms. The crystal structure features O-H?O, N-H?O and C-H?O hydrogen bonds, which link the components into a three-dimensional network.

SUBMITTER: Cherif I

PROVIDER: S-EPMC3885000 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Imidazolium trans-di-aqua-dioxalato-chromate(III) dihydrate.

Chérif Ichraf I Abdelhak Jawher J Zid Mohamed Faouzi MF Driss Ahmed A

Acta crystallographica. Section E, Structure reports online 20131116 Pt 12

In the title hydrated mol-ecular salt, (C3H5N2)[Cr(C2O4)2(H2O)2]·2H2O, the complete cation is generated by a crystallographic twofold rotation axis, with one C atom lying on the rotation axis. The complete anion is generated by crystallographic inversion symmetry (Cr(III) site symmetry -1), to generate a slightly distorted CrO6 octa-hedron with trans water mol-ecules and chelating oxalate dianions. The oxalate ion is almost planar (r.m.s. deviation = 0.017 Å) and the five-membered chelate ring i ...[more]

PMID: 24454175

Similar Datasets

Pyridinium trans-di-aqua-bis-[oxalato(2-)-?(2) O (1),O (2)]chromate(III) urea monosolvate.

Project description:The asymmetric unit of the title solvated mol-ecular salt, (C5H6N)[Cr(C2O4)2(H2O)2]·CO(NH2)2, contains half a formula unit. Each component is completed by crystallographic twofold symmetry: in the cation, one C and the N atom lie on the rotation axis; in the anion, the Cr(III) ion lies on the axis; in the solvent mol-ecule, the C and the O atom lie on the axis. The aqua ligands are in a trans disposition in the resulting CrO6 octa-hedron. In the crystal, the components are linked by O-H?O, N-H?O and N-H?(O,O) hydrogen bonds, generating a three-dimensional network.

| S-EPMC3790368 | biostudies-literature

Poly[[tetra-aqua-di-?(4)-oxalato-?(2)-oxalato-dineo-dymium(III)] dihydrate].

Project description:The title compound, {[Nd(2)(C(2)O(4))(3)(H(2)O)(4)]·2H(2)O}(n), was synthesized hydro-thermally in the presence of bis-(carb-oxy-ethyl-germanium) sesquioxide. It is isostructural with the corresponding Pr compound [Yang et al. (2009). Acta Cryst. E65, m1152-m1153]. The Nd(3+) cation is nine-coordinated and its coordination polyhedron can be described as a distorted tricapped trigonal prism. Two Nd(3+) ions are connected by two O atoms from two oxalate ions to give a dinuclear Nd(2) unit. The unit is further linked to four others via four oxalate ions yielding a layerparallel to (0-11). The linkages between the layers by neighbouring oxalate anions lead to a three-dimensional framework with channels along the c axis. The coordinating and free water mol-ecules are located in the channels and make contact with each other and the host framework by weak O-H?O hydrogen bonds.

| S-EPMC3297245 | biostudies-literature

2-Amino-6-methyl-pyridinium trans-di-aqua-dioxalatochromate(III) monohydrate.

Project description:In the title compound, (C6H9N2)[Cr(C2O4)2(H2O)2]·H2O, the Cr(III) atom adopts a slightly distorted octa-hedral coordination environment defined by two chelating oxalate ligands in the equatorial plane and two water mol-ecules in axial positions. A three-dimensional network is generated by inter-molecular N-H?O and O-H?O hydrogen-bonding interactions involving the cation, the complex anion and the lattice water molecule.

| S-EPMC3884382 | biostudies-literature

trans-Di-aqua-bis-(pyridazine-3-carboxyl-ato-κ(2) N (2),O)cobalt(II) dihydrate.

Project description:The title compound, [Co(C5H3N2O2)2(H2O)2]·2H2O, contains a Co(II) ion on an inversion center, exhibiting an octa-hedral coordination geometry. The equatorial plane is formed by two trans-related N,O-bidentate pyridazine-3-carboxyl-ate ligands and the axial positions are occupied by two water mol-ecules. The Co(II) complex mol-ecules are stacked in a column along the a-axis direction by an O-H⋯N hydrogen bond between the non-coordinating pyridazine N atom and the coordinating water mol-ecule. These columns are further connected into a layer parallel to the ac plane by additional hydrogen bonds involving the coordinating and non-coordinating water mol-ecules, and the non-coordinating carboxyl-ate O atom. The crystal packing is completed by inter-layer weak C-H⋯O inter-actions.

| S-EPMC3772443 | biostudies-literature

Aqua-(2,2'-bipyridine)trifluorido-chromium(III) dihydrate.

Project description:The title compound, [CrF(3)(C(10)H(8)N(2))(H(2)O)]·2H(2)O, was prepared by the reaction of CrF(3) and 2,2'-bipyridine under hydrous conditions. The metal centre is coordinated in a distorted octahedral mode by two N atoms from the organic ligand, three F atoms and one O atom of a water molecule. . The crystal packing is stabilized by O-H⋯O and O-H⋯F hydrogen-bonding contacts, which form a one-dimensional belt extending parallel to (100).

| S-EPMC2970006 | biostudies-literature

3-Amino-pyridinium trans-diaqua-dioxalato-chromate(III).

Project description:In the structure of the title compound, (C?H?N?)[Cr(C?O?)?(H?O)?], two crystallographically independent formula units are present. Both chromium atoms are six-coordinated in a distorted octa-hedral geometry by two chelating equatorial oxalato ligands and two axial water mol-ecules. The [Cr(C?O?)?(H?O)?]? anions and C?H?N? ? cations are linked through a complex three-dimensional hydrogen-bonding network consisting of N-H?O and O-H?O inter-actions.

| S-EPMC3393173 | biostudies-literature

m-Xylylenediaminium di-aqua-bis-[di-hydrogen diphosphato(2-)]cobaltate(II) dihydrate.

Project description:In the title complex, (C8H14N2)[Co(H2P2O7)2(H2O)2]·2H2O, the Co(II) ion lies on an inversion center and is coordinated by two bidentate diphosphate ligands and two water mol-ecules in a slightly distorted octa-hedral coordination geometry. The m-xylylenediaminium cation is located on a twofold rotation axis. In the crystal, a three-dimensional supra-molecular assembly is constructed by O-H?O and N-H?O hydrogen bonds between the organic cations, complex anions and uncoordin-ated water mol-ecules.

| S-EPMC3790354 | biostudies-literature

Synchrotron study of poly[[di-?-aqua-(?-2,2'-bipyridyl-5,5'-dicarboxyl-ato)di-potassium] dihydrate].

Project description:The title compound, {[K(2)(C(12)H(6)N(2)O(4))(H(2)O)(2)]·2H(2)O}(n), forms a three-dimensional coordination polymer in the solid state. The asymmetric unit consists of one K(+) ion, half of a 2,2'-bipyridyl-5,5'-dicarboxyl-ate ligand, one coordinated water mol-ecule and one solvent water mol-ecule. The K(+) ion is 7-coordinated by the oxygen atoms of two water mol-ecules and by five oxygen atoms of four carboxyl-ate groups, one of which is chelating. The extended structure can be described as a binodal network in which each K(+) is a six-connected node, bonding to four carboxyl-ate groups and two bridging water mol-ecules, and the 2,2'-bipyridyl-5,5'-dicarboxyl-ate linkers are eight-connected nodes, with each carboxyl-ate group bridging four metal centers. Overall, this arrangement generates a complex network with point symbol {3(4).4(12).5(12)}{3(4).4(4).5(4).6(3)}(2). Both of the bridging water mol-ecules participate as donors in hydrogen-bonding inter-actions; one to solvent water mol-ecules and a second to an oxygen atom of a carboxyl-ate group.

| S-EPMC2970491 | biostudies-literature

Imidazolium trans-bis-(imino-diacetato-κO,N,O')cobaltate(III).

Project description:In the title compound, (C(3)H(5)N(2))[Co(C(4)H(5)NO(4))(2)], the cation and anion are located on a twofold rotation axis and inversion center, respectively. Inter-molecular N-H⋯O hydrogen bonds link the cations and anions into layers parallel to the ab plane. The crystal packing also exhibits weak C-H⋯O hydrogen bonds, including bifurcated hydrogen bonds, and C=O⋯π inter-actions.

| S-EPMC2977607 | biostudies-literature

Tetra-aqua-bis(3,5-di-4-pyridyl-1,2,4-triazolato-?N)nickel(II) dihydrate.

Project description:The Ni(II) atom in the title compound, [Ni(C(12)H(8)N(5))(2)(H(2)O)(4)]·2H(2)O, lies on a center of inversion and is coordinated by the N atoms of two 3,5-di-4-pyridine-1,2,4-triazolate ligands and by four water O atoms in a slightly distorted octa-hedral geometry. The coordinated and uncoordinated water mol-ecules inter-act with the N-heterocycles through O-H?N and O-H?O hydrogen bonds, generating a three-dimensional supra-molecular architecture.

| S-EPMC2977209 | 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