Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Triclinic modification of diaqua-bis-(5-carb-oxy-1H-imidazole-4-carboxyl-ato-?(2)N(3),O(4))iron(II).

ABSTRACT: The title compound, [Fe(C(5)H(3)N(2)O(4))(2)(H(2)O)(2)], is a triclinic modification of a monoclinic form recently reported by Du et al. [Acta Cryst. (2011) ?, E67, m997]. The Fe(II) ion lies at an inversion center and is coordinated by two N and two O atoms from two 5-carb-oxy-1H-imidazole-4-carboxyl-ate ligands in trans positions, together with two water mol-ecules, completing a slightly distorted octahedral coordination. Inter-molecular N-H?O hydrogen bonding between the N-H group of the imidazole ring and the deprotonated carboxyl-ate group builds a chain of 5-carb-oxy-1H-imidazole-4-carboxyl-ate anions along the [101] direction. The water molecules form intermolecular hydrogen bonds to O-C and O=C sites of the carboxylate group in adjacent layers.

SUBMITTER: Ohshima E

PROVIDER: S-EPMC3414146 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Triclinic modification of diaqua-bis-(5-carb-oxy-1H-imidazole-4-carboxyl-ato-κ(2)N(3),O(4))iron(II).

Ohshima Eriko E Yoshida Kazuki K Sugiyama Kazumasa K Uekusa Hidehiro H

Acta crystallographica. Section E, Structure reports online 20120721 Pt 8

The title compound, [Fe(C(5)H(3)N(2)O(4))(2)(H(2)O)(2)], is a triclinic modification of a monoclinic form recently reported by Du et al. [Acta Cryst. (2011) ▶, E67, m997]. The Fe(II) ion lies at an inversion center and is coordinated by two N and two O atoms from two 5-carb-oxy-1H-imidazole-4-carboxyl-ate ligands in trans positions, together with two water mol-ecules, completing a slightly distorted octahedral coordination. Inter-molecular N-H⋯O hydrogen bonding between the N-H group of the imid ...[more]

PMID: 22904753

Similar Datasets

Diaqua-bis-(5-carb-oxy-1H-imidazole-4-carboxyl-ato-?N,O)iron(II).

Project description:In the title compound, [Fe(C(5)H(3)N(2)O(4))(2)(H(2)O)(2)], the Fe(II) ion lies on an inversion centre and is coordinated by two N and two O atoms from two 5-carb-oxy-1H-imidazole-4-carboxyl-ate ligands and two water mol-ecules in a distorted octa-hedral geometry. An intra-molecular O-H?O hydrogen bond occurs. In the crystal, inter-molecular N-H?O and O-H?O hydrogen bonds form a three-dimensional network, which consolidates the packing.

| S-EPMC3151786 | biostudies-literature

Diaqua-bis-(5-carb-oxy-2-ethyl-1H-imidazole-5-carboxyl-ato-?N,O)zinc trihydrate.

Project description:In the crystal structure of the title compound, [Zn(C(7)H(7)N(2)O(4))(2)(H(2)O)(2)]·3H(2)O, the Zn(II) ion, located an inversion center, is N,O-chelated by two 5-carb-oxy-2-ethyl-1H-imidazole-4-carboxyl-ate anions and further coordinated by two water mol-ecules in a distorted octa-hedral geometry. The carb-oxy group links with the carboxyl-ate group of the same ligand via an intra-molecular O-H?O hydrogen bond. An extensive inter-molecular N-H?O and O-H?O hydrogen-bonded network exists in the crystal structure. One disordered lattice water mol-ecule is half-occupied and is located close to an inversion center.

| S-EPMC3120609 | biostudies-literature

Diaqua-bis-(4-carb-oxy-2-ethyl-1H-imidazole-5-carboxyl-ato-κN,O)cadmium dihydrate.

Project description:The asymmetric unit of the title compound, [Cd(C(7)H(7)N(2)O(4))(2)(H(2)O)(2)]·2H(2)O, consists of one Cd(II) ion, one 4-carb-oxy-2-ethyl-1H-imidazole-5-carboxyl-ate anion, one coordinated water mol-ecule and one lattice water mol-ecule. The Cd(II) ion lies on a twofold axis, and is hexa-coordinated by four O atoms from water mol-ecules and carboxyl-ate groups and two N atoms from two imidazole rings, in a distorted octa-hedral arrangement. An extensive framework of N-H⋯O and O-H⋯O hydrogen bonds with the participation of coordinated and free water mol-ecules is found in the crystal structure, which contributes to the formation of a three-dimensional structure.

| S-EPMC3151988 | biostudies-literature

Diaqua-bis-{5-carb-oxy-2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-imidazole-4-carboxyl-ato}zinc.

Project description:In the title compound, [Zn(C(8)H(6)N(5)O(4))(2)(H(2)O)(2)], the six-coordinate Zn(II) ion, which is located on an inversion center, has a distorted octa-hedral configuration. Each 5-carb-oxy-2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-imidazole-4-carboxyl-ate ligand chelates to the Zn(II) ion through a triazole N atom and a carboxyl-ate O atom in the equatorial plane. The coordination sphere is completed by two water mol-ecules in axial positions. There is an intra-molecular O-H?O hydrogen bond in the ligand. In the crystal, mol-ecules are linked via inter-molecular O-H?O, O-H?N and N-H?N hydrogen bonds, forming a three-dimensional structure.

| S-EPMC3238584 | biostudies-literature

Diaqua-bis-(5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ato-?N,O)cobalt(II) 3.5-hydrate.

Project description:In the title complex, [Co(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·3.5H(2)O, the Co(II) cation is six-coordinated by two H(2)pimda(-) ligands (H(3)pimda is 2-propyl-1H-imidazole-4,5-carboxylic acid) and two water mol-ecules in a distorted octa-hedral environment. The crystal structures features a three-dimensional network stabilized by extensive O-H?O and N-H?O hydrogen bonds. The propyl groups of the ligands are disordered over two sets of sites with refined occupancies of 0.673?(8):0.327?(8) and 0.621?(17):0.379?(17). One of the water mol-ecules is located on a site with half-occupancy.

| S-EPMC3050148 | biostudies-literature

trans-Diaqua-bis[5-carb-oxy-2-(3-pyridyl)-1H-imidazole-4-carboxyl-ato-?N,O]manganese(II).

Project description:In the title compound, [Mn(C(10)H(6)N(3)O(4))(2)(H(2)O)(2)], synthesized by hydro-thermal reaction, the Mn(II) ion lies on an inversion centre and displays a distorted octa-hedral coordination geometry defined by the two imidazole N atoms and two carboxylate O atoms of the two trans-standing chelate ligands, and two O atoms of the water mol-ecules. A two-dimensional supra-molecular architecture is formed via N-H?O, O-H?N and O-H?O hydrogen-bonding inter-actions.

| S-EPMC2959396 | biostudies-literature

Diaqua-bis-(5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ato-?N,O)nickel(II) tetra-hydrate.

Project description:In the title complex, [Ni(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·4H(2)O, the Ni(II) ion is coordinated in a slightly distorted octa-hedral environment formed by two bis-chelating H(2)pimda (H(3)pimda is 2-propyl-1H-4,5-dicarb-oxy-lic acid) ligands and two coordinated water mol-ecules. In the crystal structure, a three-dimensional framework is formed by inter-molecular O-H?O and N-H?O hydrogen bonds involving the solvent water mol-ecules, coordinated water mol-ecules, carboxyl-ate O atoms and the protonated N atoms of the H(2)pimda ligands. The propyl groups of each H(2)pimda ligand are disordered over two sets of sites with refined occupancies of 0.50?(2):0.50?(2) and 0.762?(11):0.238?(11). In one water solvent mol-ecule, one of the H atoms was refined as disordered over two sites of equal occupancy.

| S-EPMC3007488 | biostudies-literature

Diaqua-bis(5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ato-?N,O)magnesium(II) 3.5-hydrate.

Project description:In the title complex, [Mg(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·3.5H(2)O, the Mg(II) atom is six-coordinated by two N,O-bidentate 5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ate ligands and two water mol-ecules, forming a distorted octa-hedral environment. The complex mol-ecules are linked into a three-dimensional network by N-H?O and O-H?O hydrogen-bonding inter-actions. The propyl groups are disordered over two sites, with site occupancies of 0.755?(7):0.245?(7) and 0.556?(13):0.444?(13).

| S-EPMC2983537 | biostudies-literature

Poly[diaqua-bis(?-4-carb-oxy-2-propyl-1H-imidazole-5-carboxyl-ato-?N,O:O)calcium(II)].

Project description:In the title complex, [Ca(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)](n), the Ca(II) atom is eight-coordinated in a distorted square-anti-prismatic environment. The water-coordinated Ca atom is N,O-chelated by the monocarboxyl-ate anion; the carboxyl -CO(2) portion engaged in chelation bears an acid hydrogen. The free -CO(2) portion engages in bonding to adjacent Ca atoms. The Ca(II) centres are connected through the ligand, forming a layer structure; the layers are linked by hydrogen bonds into a three-dimensional network.

| S-EPMC2980060 | biostudies-literature

Diaqua-bis-(5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ato-κN,O)cadmium(II) 3.5-hydrate.

Project description:In the title complex, [Cd(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·3.5H(2)O, the Cd(II) is coordinated by two water mol-ecules and N,O-chelated by two 5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ate anions in a distorted octa-hedral geometry. The two imidazole rings are oriented to each other with a dihedral angle of 75.1 (2)°. Strong O-H⋯O hydrogen bonds between protonated and deprotonated carboxyl-ate groups occur in the mol-ecular structure. In the crystal structure extensive O-H⋯O and N-H⋯O hydrogen bonds help to stabilize the three-dimensional supra-molecular framework. The propyl groups of anions are disordered over two sites with refined occupancies of 0.768 (6):0.232 (6) and 0.642 (8):0.358 (8).

| S-EPMC3007830 | 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