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Cyclo-Tetra-μ-malato-κO,O',O'':O'''-tetra-kis[bis-(1H-benzimidazole-κN)cobalt(II)] eicosa-hydrate.

ABSTRACT: The title compound, [Co(4)(C(4)H(4)O(5))(4)(C(7)H(6)N(2))(8)]·20H(2)O, consists of tetra-nuclear Co(II) complexes and disordered uncoordinated water mol-ecules. The tetra-meric complex mol-ecule has symmetry. While two benzimidazole mol-ecules and a tridentate malate dianion coordinate a Co(II) ion, the carboxylate O atom from an adjacent malate dianion bridges the Co(II) ions to complete a distorted octa-hedral coordination geometry. The tridentate malate dianion chelates the Co(II) ion, and the chelate six- and five-membered rings show half-chair and envelope configurations, respectively. A face-to-face separation of 3.494 (9) Å between parallel benzimidazole ligands indicates the existence of π-π stacking between adjacent complexes. The crystal structure also involves N-H⋯O and O-H⋯O hydrogen bonds.

SUBMITTER: Li JH

PROVIDER: S-EPMC2960982 | biostudies-literature |

REPOSITORIES: biostudies-literature

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cyclo-Tetra-kis(μ-3-acetyl-4-methyl-1H-pyrazole-5-carboxyl-ato-κN,O:N,O)tetra-kis[aqua-copper(II)] tetra-deca-hydrate.

Project description:The title compound, [Cu(4)(C(7)H(6)N(2)O(3))(4)(H(2)O)(4)]·14H(2)O, a tetra-nuclear [2 × 2] grid-type complex with S4 symmetry, contains four Cu(II) atoms which are bridged by four pyrazole-carboxyl-ate ligand anions and are additionally bonded to a water molecule. Each Cu(II) atom is coordinated by two O atoms of the carboxyl-ate and acetyl groups, two pyrazole N atoms of doubly deprotonated 3-acetyl-4-methyl-1H-pyrazole-5-carb-oxy-lic acid and one O atom of a water mol-ecule. The geometry at each Cu(II) atom is distorted square-pyramidal, with the two N and two O atoms in the equatorial plane and O atoms in the axial positions. O-H⋯O hydrogen-bonding interactions additionally stabilize the structure. One of the uncoordinated water molecules shows half-occupancy.

| S-EPMC3200935 | biostudies-literature

catena-Poly[[[tetra-kis-(4-methyl-pyridine-κN)copper(II)]-μ-sulfato-κO:O'] 4.393-hydrate].

Project description:The structure of the title compound, {[Cu(SO(4))(C(6)H(7)N)(4)]·4.393H(2)O}(n), consists of Cu(2+) ions surrounded in a square-planar fashion by 4-methyl-pyridine ligands, forming two crystallographically independent Cu{H(3)C(C(5)H(4)N)}(4) units that are both located on crystallographic inversion centers. The Cu(4-methyl-pyridine)(4) units are, in turn, connected with each other via bridging sulfate anions, leading to the formation of infinite [Cu{H(3)C(C(5)H(4)N)}(4)SO(4)](n) zigzag chains along [001]. The completed coordination spheres of the Cu(2+) ions are slightly distorted octa-hedral. The axial Cu-O bonds are elongated [average length = 2.42 (4) Å] compared to the equatorial Cu-N bonds [average length = 2.043 (2) Å]. The inter-stitial space between the chains is filled with uncoordinated water mol-ecules that consolidate the structure through O-H⋯O hydrogen bonding. One of the five crystallographically independent solvent water mol-ecules is partially occupied with an occupancy factor of 0.396 (4). Due to hydrogen bonding between symmetry-equivalent water mol-ecules across inversion centers, several of the water H atoms are disordered in 1:1 ratios over mutually exclusive positions. The crystal under investigation was found to be non-merohedrally twinned in a 0.789 (1):0.211 (1) ratio by a 180° rotation around the reciprocal b axis.

| S-EPMC3051987 | biostudies-literature

Tetra-aqua-bis-(2-methyl-1H-benzimidazolium-1,3-diacetato-κO)cobalt(II) tetra-hydrate.

Project description:In the title compound, [Co(C(12)H(11)N(2)O(4))(2)(H(2)O)(4)]·4H(2)O, the Co(II) atom lies on an inversion center and is octa-hedrally coordinated by six O atoms from four water mol-ecules and two monodentate zwitterionic 2-methyl-benzimidazolium-1,3-diacetate ligands. An intra-molecular O-H⋯O hydrogen bond occurs. In the crystal, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π inter-actions between the imidazole and benzene rings [centroid-centroid distance = 3.9031 (17) Å] consolidate the crystal packing.

| S-EPMC3200967 | biostudies-literature

catena-Poly[[bis-(1H-benzimidazole-κN)palladium(II)]-μ-benzene-1,4-dicarboxyl-ato-κO:O].

Project description:In the title compound, [Pd(C(8)H(4)O(4))(C(7)H(6)N(2))(2)](n), the Pd atom is tetra-coordinated by two carboxyl-ate O atoms from two benzene-1,4-dicarboxyl-ate (bdc) dianions and two N atoms from two benzimidazole ligands, resulting in a slightly distorted tetra-hedral PdO(2)N(2) geometry. The bdc ligand acts as a bridge, linking the Pd atoms into a chain. Inter-chain N-H⋯O hydrogen bonds help to stabilize the crystal structure.

| S-EPMC2915081 | biostudies-literature

Tetra-kis(μ-phenoxy-acetato-κO:O')bis-[(1,10-phenanthroline-κN,N')manganese(II)] methanol hemisolvate.

Project description:The title complex, [Mn(2)(C(8)H(7)O(3))(4)(C(12)H(8)N(2))(2)]·0.5CH(3)OH, is a carboxyl-ate-bridged dinuclear Mn(II) complex with four phenoxy-acetate ions and two 1,10-phenanthroline mol-ecules as ligands. Each of the four phenoxy-acetate anions bridges the pair of Mn atoms. The asymmetric unit is completed by a half-occupancy methanol solvent mol-ecule. Face-to-face π-π stacking inter-actions between the aromatic rings of 1,10-phenanthroline molecules belonging to adjacent Mn(2) complexes, with an inter-planar separation of circa 3.4 Å, and weak C-H⋯O hydrogen bonds connect the dinuclear units into a three-dimensional supra-molecular framework.

| S-EPMC2915099 | biostudies-literature

Poly[[tetra-aqua-tetra-kis-[μ(3)-5-(pyridine-4-carboxamido)-isophthalato]cobalt(II)dierbium(III)] tetra-hydrate].

Project description:In the centrosymmetric polymeric title compound, {[CoEr(2)(C(14)H(8)N(2)O(5))(4)(H(2)O)(4)]·4H(2)O}(n), the Er(III) cation has a coordination number of eight and is surrounded by seven carboxyl-ate O atoms from four 5-(pyridine-4-carboxamido)-isophthalate (L) ligands and one water mol-ecule, forming a distorted square-anti-prismatic arrangement. The Co(II) cation is located on an inversion center and is coordinated by two pyridine N atoms, two carboxyl-ate O atoms and two water mol-ecules in a distorted octa-hedral geometry. The asymmetric unit contains two anionic L ligands. One bridges two Er(III) cations and one Co(II) cation through two carboxyl-ate groups and one pyridine N atom, while the other bridges two Er(III) cations and one Co(II) cation through two carboxyl-ate groups. Extensive O-H⋯O, O-H⋯N and N-H⋯O hydrogen-bonding inter-actions are present in the crystal, involving all uncoordinated water mol-ecules and the uncoordinated pyridine N atom of one of the ligands bonded to an adjacent coordinated water mol-ecule. The title compound is isotypic with the gadolinium analogue.

| S-EPMC3246915 | biostudies-literature

Poly[[tetra-aqua-tetra-kis-[μ(3)-5-(pyridine-4-carboxamido)-isophthalato]-cobalt(II)-diholmium(III)] tetra-hydrate].

Project description:In the centrosymmetric polymeric title compound, {[CoHo(2)(C(14)H(8)N(2)O(5))(4)(H(2)O)(4)]·4H(2)O}(n), the Ho(III) ion is coordinated by one water mol-ecule and four 5-(pyridine-4-carboxamido)-isophthalate (L) ligands in a distorted square-anti-prismatic arrangement. The Co(II) ion, located on an inversion center, is coordinated by two pyridine N atoms, two carboxyl-ate O atoms and two water mol-ecules in a distorted octa-hedral geometry. One L ligand bridges two Ho ions and one Co ion through two carboxyl-ate groups and one pyridine N atom. The other L ligand bridges two Ho ions and one Co ion through two carboxyl-ate groups, while the uncoordinated pyridine N atom accepts a hydrogen bond from an adjacent coordinated water mol-ecule. Extensive O-H⋯O, N-H⋯O and O-H⋯N hydrogen bonding is present in the crystal.

| S-EPMC3246991 | biostudies-literature

Tetra-kis[μ-4-(dimethyl-amino)benzoato-κO:O']bis-[(N,N-diethyl-nicotinamide-κN)zinc(II)].

Project description:The title mol-ecule, [Zn(2)(C(9)H(10)NO(2))(4)(C(10)H(14)N(2)O)(2)], is a centrosymmetric binuclear complex, with Zn atoms [Zn⋯Zn' = 2.8927 (4) Å] bridged by four carboxyl-ate groups from the dimethyl-amino-benzoate (DMAB) ligands. The four carboxyl O atoms around the Zn atom form a distorted square-planar arrangement; the distorted square-pyramidal coordination geometry is completed by the pyridine N atom of the N,N-diethyl-nicotinamide (DENA) ligand. The Zn atom is displaced by 0.3326 (2) Å from the plane of the four O atoms, with an average Zn-O distance of 2.0416 (12) Å. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 5.31 (8) and 11.00 (9)°, while the pyridine ring is oriented at dihedral angles of 66.26 (6) and 37.88 (7)° with respect to the benzene rings. Weak intra-molecular C-H⋯O and inter-molecular C-H⋯π inter-actions are present.

| S-EPMC2971944 | biostudies-literature

Tetra-aqua-(2,2'-bipyridine-κN,N')manganese(II) di-μ-aqua-bis-[aqua-(2,2'-bipyridine-κN,N')(5-sulfonatoisophthalato-κO)manganate(II)] tetra-hydrate.

Project description:The crystal structure of the title salt, [Mn(C(10)H(8)N(2))(H(2)O)(4)][Mn(2)(C(8)H(3)O(7)S)(2)(C(10)H(8)N(2))(2)(H(2)O)(4)]·4H(2)O, consists of mononuclear manganese(II) cations, dinuclear manganate(II) dianions and uncoordinated water mol-ecules. The dianion is located about an inversion center; the Mn(II) atom is coordinated by a 2,2'-bipyridine ligand, a sulfonatoisophthalate group, a water mol-ecule along with two bridging water mol-ecules in an octa-hedral geometry. The cation lies on a twofold rotation axis; the Mn(II) atom is coordinated by four water mol-ecules and a chelating 2,2'-bipyridine ligand in a distorted octa-hedral geometry. A partially overlapped arrangement between the bipyridine ligands and the aromatic ring of the sulfoisophthalate group of adjacent anions is observed; the distance (3.357 Å) indicates π-π stacking. Hydrogen bonds, with the water mol-ecules serving as hydrogen-bond donors, lead to a three-dimensional network architecture.

| S-EPMC2961927 | biostudies-literature

Tetra-kis(μ-penta-fluoro-benzoato-κO:O')bis-[(tetra-hydro-furan-κO)molybdenum(II)].

Project description:In the asymmetric unit of the title compound, [Mo(2)(C(7)F(5)O(2))(4)(C(4)H(8)O)(2)], two independent half-mol-ecules are present, which are completed by a crystallographically imposed center of inversion between the individual Mo atoms. In each mol-ecule, four penta-fluoro-benzoate anions bridge the quadruply bonded Mo(2) (4+) unit that is, in addition, axially coordinated by two O atoms of tetra-hydro-furan (THF) mol-ecules. In the two independent mol-ecules, the mean Mo-Mo bond length is 2.110 Å. Since the THF mol-ecules are equally disordered over two sets of sites, there are four different Mo-O distances in both half-mol-ecules with an overall mean of 2.542 Å. A zigzag chain is formed by π-π stacking inter-actions between penta-fluoro-phenyl rings, indicated by a centroid-centroid distance of 3.7054 (11) Å and a centroid-to-plane distance of 3.4169 (3) Å. The extension of the unit gives a three-dimensional network structure with the THF mol-ecules located in the voids.

| S-EPMC3200930 | biostudies-literature

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