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(3-Carb-oxy-5-sulfonatobenzoato-κO,O)bis-[2-(2-pyrid-yl)-1H-benzimidazole-κN,N]zinc(II) monohydrate.

ABSTRACT: In the title compound, [Zn(C(8)H(4)O(7)S)(C(12)H(9)N(3))(2)]·H(2)O, the Zn(II) atom has a distorted octa-hedral coordination geometry, defined by four N atoms from two 2-(2-pyrid-yl)-1H-benzimidazole ligands and two O atoms from a deprotonated carboxyl-ate group of the 3-carb-oxy-5-sulfonatobenzoate ligand. In the crystal structure, the complex mol-ecules are linked into a three-dimensional network by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds, and π-π stacking inter-actions with centroid-centroid separations of 3.758 (2) and 3.597 (1) Å.

SUBMITTER: Chen LJ

PROVIDER: S-EPMC2968999 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Triaqua-(3-carb-oxy-5-sulfonatobenzoato-κO)(1,10-phenanthroline-κN,N')cobalt(II) monohydrate.

Project description:In the title compound, [Co(C(8)H(4)O(7)S)(C(12)H(8)N(2))(H(2)O)(3)]·H(2)O, the Co(II) cation is coordinated by one sulfoisophthalate dianion, one bidentate phenathroline (phen) mol-ecule and three water mol-ecules in a distorted cis-CoN(2)O(4) octa-hedral geometry. In the crystal structure, aromatic π-π stacking occurs [centroid-centroid distances 3.7630 (14) and 3.7269 (15) Å], as well as an extensive O-H⋯O and C-H⋯O hydrogen-bonding network.

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(1H-Benzimidazole-5-carb-oxy-lic acid-κN)(1H-benzimidazole-6-carb-oxy-lic acid-κN)silver(I) perchlorate.

Project description:The reaction of 1H-benzimidazole-5-carb-oxy-lic acid with silver nitrate in the presence of perchloric acid under hydro-thermal conditions yielded the title complex, [Ag(C(8)H(6)N(2)O(2))(2)]ClO(4), which comprises of an [Ag(C(8)H(6)N(2)O(2))(2)] mononuclear cation and a perchlorate anion. The Ag(I) ion is coordinated by two N atoms from two different neutral 1H-benzimidazole-5-carb-oxy-lic acid ligands with an N-Ag-N bond angle of 163.21 (14)°, forming an [Ag(C(8)H(6)N(2)O(2))(2)] mononuclear cation. Although both ligands in the mononuclear cation are monodentate with one N atom coordinated to the metal ion, they are different: one is N(3) coordinated to the Ag (I) ion and the N(1) atom protonated, the other with the N(1) coordinated to the Ag (I) ion and the N(3) atom protonated (and thus formally a 1H-benzimidazole-6-carb-oxy-lic acid rather than a 1H-benzimidazole-5-carb-oxy-lic acid ligand). The planes of the two planar ligands are roughly perpendicular, making a dihedral angle of 84.97 (2)°. The packing of the ions is stablized by extensive O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, and by remote Ag⋯O inter-actions [3.002 (3), 3.581 (5) and 3.674 (5) Å].

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Aqua-(pyridine-3-carb-oxy-lic acid-κN)(pyridine-2,6-dicarboxyl-ato-κO,N,O)copper(II) monohydrate.

Project description:In the title Cu(II) complex, [Cu(C(7)H(3)NO(4))(C(6)H(5)NO(2))(H(2)O)]·H(2)O, the environment of the Cu(2+) ion is a distorted square pyramid with the axial site occupied by the O atom from the coordinated water mol-ecule and the square base formed by two O and two N atoms from the tridentate anion and the neutral monodentate pyridine-3-carboxylic acid ligand. O-H⋯O hydrogen bonds, as well as π-π inter-actions [centroid-centroid distance = 3.945 (3) Å] contribute to the stabilization of this structure.

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Aquabis(benzoato-κO)bis-(1H-imidazole-κN)copper(II) monohydrate.

Project description:In the title compound, [Cu(C(7)H(5)O(2))(2)(C(3)H(4)N(2))(2)(H(2)O)]·H(2)O, the Cu(II) atom is in a distorted square-pyramidal environment. The mol-ecules are assembled into double chains extending along [010] by N-H⋯O hydrogen bonds. These double chains are linked by O-H⋯O hydrogen bonds, forming layers parallel to (02); the layers are linked into a three-dimensional network by van der Waals inter-actions.

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Bis(μ-3-hydroxy-benzoato)-κO:O;κO:O-bis-[bis-(1H-benzimidazole-κN)(3-hydroxy-benzoato-κO)nickel(II)] bis-(1H-benzimidazole-κN)bis-(3-hy-droxy-benzoato-κO)nickel(II) hexa-hydrate.

Project description:The title compound, [Ni(2)(C(7)H(5)O(3))(4)(C(7)H(6)N(2))(4)][Ni(C(7)H(5)O(3))(2)(C(7)H(6)N(2))(2)]·6H(2)O, is a mononuclear/dinuclear nickel(II) cocrystal, the two mol-ecular species inter-acting through hydrogen bonds that involve the uncoordinated water mol-ecules. In the mononuclear species, the Ni(II) ion, located on an inversion center, is coordinated by two 1H-benzimidazole (bzim) ligands and two 3-hydroxy-benzoate (hba) anions in a square-planar geometry. In the centrosymmetric dinuclear species, the Ni(II) ion is coordinated by two bzim ligands and three hba anions in a square-pyramidal geometry; of the two independent hba anions, one bridges two Ni(II) ions with both carboxylate and hydroxyl groups whereas the other coordin-ates in a unidentate manner to the Ni(II) ion. The apical Ni-O(hydrox-yl) bond is 0.39 Å longer than the basal Ni-O(carbox-yl) bonds. The face-to-face separation of 3.326 (9) Å indicates the existence of π-π stacking between parallel bzim ligands of adjacent dinuclear entities. Extensive N-H⋯O and O-H⋯O hydrogen bonds help to stabilize the crystal structure.

| S-EPMC2960256 | biostudies-literature

Ethane-1,2-diaminium bis-(4-carb-oxy-2-propyl-1H-imidazole-5-carb-oxy-ate) monohydrate.

Project description:In the title hydrated molecular salt, C(2)H(10)N(2) (2+)·2C(8)H(9)N(2)O(4) (-)·H(2)O, an intra-molecular O-H?O hydrogen bond occurs in the anion, forming an S(7) ring. The -CO(2) and -CO(2)H groups make dihedral angles of 3.2?(2) and 2.0?(3)°, respectively, with the five-membered ring. In the crystal, N-H?O, N-H?N and O-H?O hydrogen bonds lead to the formation of a three-dimensional supra-molecular architecture. The methyl group in the anion is disordered over two sets of sites in a 0.716?(9):0.284?(9) ratio. The ethylenediamine cation is generated by symmetry and the water molecule lies on a twofold axis.

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Poly[[(?-1H-benzimidazole-5,6-dicarboxyl-ato)zinc(II)] monohydrate].

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| S-EPMC2969483 | biostudies-literature

Bis-(1H-benzimidazole-κN)bis(4-methyl-benzoato-κO,O')cobalt(II).

Project description:In the title mononuclear complex, [Co(C(8)H(7)O(2))(2)(C(7)H(6)N(2))(2)], the Co(II) atom is coordinated by four carboxylate O atoms from two 4-methyl-benzoate ligands and two N atoms from two benzimidazole ligands in an octa-hedral coordination geometry. The molecules are assembled via inter-molecular N-H⋯O hydrogen-bonding inter-actions into a three-dimensional network.

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Bis(1H-benzimidazole-κN)bis-(4-methyl-benzoato-κO,O')copper(II).

Project description:In the title mononuclear complex, [Cu(C(8)H(7)O(2))(2)(C(7)H(6)N(2))(2)], the Cu(II) atom lies on an inversion centre and is coordinated by two O atoms of two monodentate 4-methyl-benzoate ligands and two N atoms of two benzimidazole ligands in a square-planar geometry. The mol-ecules are linked into chains running parallel to the b axis by inter-molecular N-H⋯O hydrogen bonds and by π-π stacking inter-actions [centroid-centroid distance = 3.669 (2) Å] involving centrosymmetrically related imidazole rings.

| S-EPMC2961541 | biostudies-literature

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