Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Fan RZ

PROVIDER: S-EPMC3007488 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Fan Run-Zhen RZ Li Shi-Jie SJ Song Wen-Dong WD Miao Dong-Liang DL Hu Shi-Wei SW

Acta crystallographica. Section E, Structure reports online 20100707 Pt 8

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 proton ...[more]

PMID: 21588141

Similar Datasets

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

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

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

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

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

Project description:In the title complex, [Zn(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·3.5H(2)O, the Zn(II) ion is coordinated by two N,O-bidentate H(2)pimda ligands (H(3)pimda = 2-propyl-1H-imidazole-4,5-dicarb-oxy-lic acid) and two water mol-ecules in a distorted octa-hedral environment. In the crystal structure, extensive inter-molecular O-H⋯O and N-H⋯O hydrogen bonds stabilize the three-dimensional supra-molecular network. Intra-molecular O-H⋯O hydrogen bonds between the carboxyl groups are also observed. The propyl groups of the two H(2)pimda ligands are disordered each over two sites, with occupancy factors of 0.752 (5):0.248 (5) and 0.519 (7):0.481 (7). One of the water mol-ecules is half-occupied.

| S-EPMC3008058 | biostudies-literature

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

Project description:In the title complex, [Ni(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·2C(3)H(7)NO, the Ni(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 in a distorted octa-hedral environment. The methyl C and H atoms of the two ligands are disordered over two sets of sites in 0.74?(2):0.26?(2) and 0.57?(8):0.43?(8) ratios. A supra-molecular network is stabilized by intra- and inter-molecular N-H?O and O-H?O hydrogen bonds involving the ligands, coordinated water mol-ecules and dimethyl-formamide solvent mol-ecules.

| S-EPMC2983735 | 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

Bis(6'-carb-oxy-2,2'-bipyridine-6-carboxyl-ato-?N,N',O)nickel(II) tetra-hydrate.

Project description:In the title compound, [Ni(C(12)H(7)N(2)O(4))(2)]·4H(2)O, the Ni atom is located at the centre of a distorted octa-hedron, formed by four N atoms and two O atoms from the same two tridentating chelated 6-carb-oxy-2,2'-bipyridine-6'-carboxyl-ate (L) ligands. Face-to-face ?-stacking inter-actions between inversion-related pyridine rings with centroid-centroid distances of 3.548?(3) and 3.662?(3)?Å (perpendicular distances between the respective rings are 3.314 and 3.438?Å) are found. Inter-molecular O-H?O hydrogen bonds between water mol-ecules and L ligands form R(5) (3)(10), R(6) (5)(14) and R(5) (5)(12) rings and also a centrosymmetric cage-like unit of water mol-ecules, which link eight adjacent Ni(II) centers, forming a three-dimensional framework.

| S-EPMC2968579 | biostudies-literature

Diaqua-bis-(5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ato-?N,O)cadmium N,N-dimethyl-formamide disolvate.

Project description:In the title complex, [Cd(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·2C(3)H(7)NO, the six-coordinate Cd(II) ion is in a slightly distorted octa-hedral environment, defined by two O atoms from two coordinated water mol-ecules and two carboxyl-ate O atoms and two N atoms from two N,O-bidentate 5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ate ligands. In the crystal, complex mol-ecules and dimethyl-formamide solvent mol-ecules are linked by O-H?O and N-H?O hydrogen bonds into a two-dimensional supra-molecular structure. The propyl groups of the ligands are disordered over two conformations with refined occupancies of 0.680?(7) and 0.320?(7).

| S-EPMC3238758 | biostudies-literature

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

Project description:In the title complex, [Pb(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)](n), the eight-coordinate Pb(II) atom lies on a twofold rotation axis and adopts a slightly distorted square-anti-prismatic N(2)O(6) coordination geometry. The ligand donor atoms are the tertiary N atoms of the imidazole rings and the carboxyl-ate O atoms of two chelating 5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ate ligands, the carb-oxy O atoms of two additional imidazole ligands and two water O atoms. The carb-oxy O and the N,O-chelate systems also link adjacent Pb(II) atoms, forming a two-dimensional layer structure, with four individual Pb(II) atoms located at the corners of a square. These layers are further inter-connected by an extensive array of O-H⋯O and N-H⋯O hydrogen bonds into a three-dimensional network.

| S-EPMC2979092 | 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