Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diaqua-[5,5'-dicarb-oxy-2,2'-(propane-1,3-di-yl)bis-(1H-imidazole-4-carboxyl-ato)]manganese(II).

ABSTRACT: The complex mol-ecule of the title compound, [Mn(C(13)H(10)N(4)O(8))(H(2)O)(2)] or [Mn(H(4)pbidc)(H(2)O)(2)] (H(6)pbidc = 2,2'-(propane-1,3-di-yl)bis-(1H-imidazole-4,5-dicarb-oxy-lic acid), has 2 symmetry with the twofold rotation axis running through the Mn(2+) cation and the central C atom of the propanediyl unit. The cation is six-coordinated by two N atoms and two O atoms from one H(4)pbidc(2-) anion and two water O atoms in a considerably distorted octa-hedral coordination. In the crystal, adjacent mol-ecules are linked through O-H?O and N-H?O hydrogen bonds into a three-dimensional network.

SUBMITTER: Yang HX

PROVIDER: S-EPMC3089289 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Diaqua-[5,5'-dicarb-oxy-2,2'-(propane-1,3-di-yl)bis-(1H-imidazole-4-carboxyl-ato)]manganese(II).

Yang Huai-Xia HX Zhou Xiaoli X Jin Guanghua G Meng Xiang-Ru XR

Acta crystallographica. Section E, Structure reports online 20110407 Pt 5

The complex mol-ecule of the title compound, [Mn(C(13)H(10)N(4)O(8))(H(2)O)(2)] or [Mn(H(4)pbidc)(H(2)O)(2)] (H(6)pbidc = 2,2'-(propane-1,3-di-yl)bis-(1H-imidazole-4,5-dicarb-oxy-lic acid), has 2 symmetry with the twofold rotation axis running through the Mn(2+) cation and the central C atom of the propanediyl unit. The cation is six-coordinated by two N atoms and two O atoms from one H(4)pbidc(2-) anion and two water O atoms in a considerably distorted octa-hedral coordination. In the crystal, ...[more]

PMID: 21754292

Similar Datasets

Diaqua-[5,5'-dicarb-oxy-2,2'-(propane-1,3-di-yl)bis-(1H-imidazole-4-carboxyl-ato)]nickel(II) dihydrate.

Project description:In the title complex, [Ni(C(13)H(10)N(4)O(8))(H(2)O)(2)]·2H(2)O, the Ni(2+) cation is six-coordinated by two N atoms and two O atoms from the tetra-dentate anion in equatorial positions and by two water O atoms in axial positions, leading to a distorted octa-hedral environment. The central C atom of the propanediyl unit is disordered over two sites in a 0.531?(6):0.469?(6) ratio. In the crystal, adjacent mol-ecules are linked through O-H?O and N-H?O hydrogen-bonding inter-actions into a three-dimensional network.

| S-EPMC3151826 | biostudies-other

Diaqua-[5,5'-dicarb-oxy-2,2'-(ethane-1,2-di-yl)bis-(1H-imidazole-4-carboxyl-ato)]cobalt(II).

Project description:In the title complex, [Co(C(12)H(8)N(4)O(8))(H(2)O)(2)], the Co(II) atom is coordinated by two N and two O atoms of the tetra-dentate 5,5'-dicarb-oxy-2,2'-(ethane-1,2-di-yl)bis-(1H-imidazole-4-carboxy-l-ate) anion. The slightly distorted octa-hedral coordination environment is completed by the O atoms of two water mol-ecules in axial positions. An intra-molecular O-H?O hydrogen bond between the carb-oxy and carboxyl-ate groups stabilizes the mol-ecular configuration. Adjacent mol-ecules are linked through O-H?O and N-H?O hydrogen bonds between the carb-oxy/carboxyl-ate groups, water mol-ecules and imidazole fragments into a three-dimensional network.

| S-EPMC3120334 | biostudies-literature

Diaqua-bis-(1H-imidazole-4-carboxyl-ato-?(2) N (3),O (4))manganese(II).

Project description:In the title compound, [Mn(C4H3N2O2)2(H2O)2], the Mn(II) ion is located on a twofold rotation axis and displays a distorted octa-hedral coordination environment, defined by two N,O-bidentate 1H-imidazole-4-carboxyl-ate ligands in the equatorial plane and two water mol-ecules in axial positions. In the crystal, O-H?O and N-H?O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network. ?-? stacking inter-actions between the imidazole rings [centroid-centroid distances = 3.5188?(15) and 3.6687?(15)?Å] further stabilize the structure.

| S-EPMC3588475 | biostudies-literature

catena-Poly[[[diaqua-(1,3-benzimidazole-κN)manganese(II)]-μ-benzene-1,3-di-carboxyl-ato-κO,O:O] dihydrate].

Project description:In the polymeric title complex, {[Mn(C(8)H(4)O(4))(C(7)H(6)N(2))(H(2)O)(2)]·2H(2)O}(n), the Mn(II) cation is coordinated by two benzene-dicarboxyl-ate anions, one benzimidazole ligand and two water mol-ecules in a distorted MnNO(5) octa-hedral geometry. In the crystal, each benzene-dicarboxyl-ate anion bridges adjacent Mn(II) cations through the terminal carboxyl-ate groups, forming a polymeric complex chain along the a axis. One Mn-O(carboxyl-ate) bond is much longer than the others. In the crystal, π-π stacking is observed between nearly parallel [dihedral angle = 4.32 (6)°] benzimidazole aromatic ring systems of adjacent mol-ecules, the centroid-centroid distance between the imidazole and benzene rings being 3.5421 (11) Å. Extensive inter-molecular O-H⋯O and N-H⋯O hydrogen bonding is present in the crystal structure. The two lattice water mol-ecules are located on twofold rotation axes.

| S-EPMC3099958 | biostudies-literature

Diaqua-bis-(1H-imidazole-4-carboxyl-ato-κN,O)zinc.

Project description:In the title compound, [Zn(C(4)H(3)N(2)O(2))(2)(H(2)O)(2)], the Zn(II) ion is situated on a twofold rotation axis and exhibits a distorted octa-hedral coordination configuration. The equatorial plane contains two cis-oriented bidentate 1H-imidazole-4-carboxyl-ate ligands and the axial positions are occupied by two coordinated water mol-ecules. In the crystal structure, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network. There are π-π inter-actions between the imidazole rings, with a centroid-to-centroid distance of 3.504 (3) Å.

| S-EPMC3151991 | 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-κN,O)manganese(II) 3.5-hydrate.

Project description:In the title complex, [Mn(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·3.5H(2)O, the Mn(II) cation is six-coordinated by two N,O-bidentate H(2)pimda(-) ligands (H(2)pimda(-) = 5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ate) and two water mol-ecules in a distorted octa-hedral environment. The complete solid-state structure can be described as a three-dimensional supra-molecular framework stabilized by a wide range of O-H⋯O and N-H⋯O hydrogen bonds. The propyl groups of H(2)pimda(-) are disordered over two sets of sites with refined occupancies of 0.759 (5):0.241 (5) and 0.545 (7):0.455 (7).

| S-EPMC3007852 | biostudies-literature

Poly[diaqua-(?(5)-1H-imidazole-4,5-di-carboxyl-ato)(?(4)-1H-imidazole-4,5-di-carboxyl-ato)tris-ilver(I)ytterbium(III)].

Project description:The asymmetric unit of the title compound, [Ag(3)Yb(C(5)HN(2)O(4))(2)(H(2)O)(2)](n), contains three Ag(I) ions, one Yb(III) ion, two imidazole-4,5-dicarboxyl-ate ligands and two coordinating water mol-ecules. The Yb(III) atom is eight-coordinated, in a bicapped trigonal prismatic coordination geometry, by six O atoms from three imidazole-4,5-dicarboxyl-ate ligands and two coordinating water mol-ecules. The two-coordinated Ag(I) ions exhibit three types of coordination environments. One Ag(I) atom is bonded to two N atoms from two different imidazole-4,5-dicarboxyl-ate ligands. The other two Ag(I) atoms are each coordinated by one O atom and one N atom from two different imidazole-4,5-dicarboxyl-ate ligands. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate ligands, generating a two-dimensional heterometallic layer. These layers are stacked along the a axis via O-H?O hydrogen-bonding inter-actions to generate a three-dimensional framework.

| S-EPMC3414133 | biostudies-literature

Diaqua-(5-carb-oxy-benzene-1,3-di-carboxyl-ato-?O)(4,4'-dimethyl-2,2'-bipyridine-?N,N')zinc.

Project description:In the title compound, [Zn(C(9)H(4)O(6))(C(12)H(12)N(2))(H(2)O)(2)], the Zn(II) atom is five-coordinated by two N atoms from a 4,4'-dimethyl-2,2'-bipyridine ligand, one O atom from a 5-carb-oxy-benzene-1,3-dicarboxyl-ate ligand and two water mol-ecules in a distorted trigonal-bipyramidal geometry. The complex mol-ecules are linked by inter-molecular O-H?O hydrogen bonds and partly overlapping ?-? inter-actions [centroid-centroid distance = 4.017?(2)?Å] into a three-dimensional supra-molecular network.

| S-EPMC3120513 | biostudies-literature

Diaqua-bis{5-carboxy-2-[(1H-1,2,4-triazol-1-yl)-meth-yl]-1H-imidazole-4-carboxyl-ato}-manganese(II).

Project description:In the title compound, [Mn(C(8)H(6)N(5)O(4))(2)(H(2)O)(2)], the Mn(II) ion is situated on an inversion center and is six-coordinated by two N and two O atoms from two L ligands (HL = 2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-imidazole-4,5-dicarboxylic acid) and two water mol-ecules in a distorted octa-hedral geometry. In ligand L, the imidazole and triazole rings form a dihedral angle of 74.25?(8)°. Mol-ecules are assembled into a three-dimensional structure via inter-molecular O-H?O, O-H?N and N-H?N hydrogen-bonds, and ?-? inter-actions with a short distance of 3.665?(2)?Å between the centroids of the imidazole and triazole rings of neighbouring mol-ecules.

| S-EPMC2979128 | 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