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

ABSTRACT: 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.

SUBMITTER: Li SJ

PROVIDER: S-EPMC3008058 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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

Li Shi-Jie SJ Song Wen-Dong WD Li Shi-Hong SH Dong Jing-Jing JJ Yan Jian-Bin JB

Acta crystallographica. Section E, Structure reports online 20100818 Pt 9

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 gro ...[more]

PMID: 21588509

Similar Datasets

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)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).

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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.

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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.

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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.

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

Project description:In the crystal structure of the title compound, [Zn(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·2C(3)H(7)NO, the Zn(II) atom is coordinated by two N,O-bidentate 2-propyl-1H-imidazole-4,5-dicarboxyl-ate anions and two water mol-ecules in a distorted octa-hedral environment. The asymmetric unit consists of one Zn(II) atom located on a center of inversion as well as one anion, one water mol-ecule and one additional dimethyl-formamide mol-ecule that occupy general positions. Between the carboxyl and the carboxyl-ate group an intra-molecular hydrogen bond is found in which the hydroxy H atom is disordered. Disorder is also found for the H atoms of one of the three methyl groups. In the crystal structure, additional inter-molecular N-H⋯O and O-H⋯O hydrogen bonding is found.

| S-EPMC3006990 | 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-(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

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

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