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Bis(μ-3-hy-droxy-benzoato)-κO,O:O;κO:O,O-bis-[(3-hy-droxy-benzoato-κO,O')(iso-nicotinamide-κN)cadmium] tetra-hydrate.

ABSTRACT: In the title centrosymmetric binuclear Cd(II) compound, [Cd(2)(C(7)H(5)O(3))(4)(C(6)H(6)N(2)O)(2)]·4H(2)O, the six-coordinated Cd(II) atom is chelated by the carboxyl-ate groups of the two 3-hy-droxy-benzoate (HB) anions; the two monomeric units are bridged through the two O atoms of the two carboxyl-ate groups. In the crystal, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the pyridine rings and between the benzene rings [centroid-centroid distances = 3.770 (1), 3.769 (1) and 3.632 (1) Å] may further stabilize the structure.

SUBMITTER: Zaman IG

PROVIDER: S-EPMC3274919 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Bis(4-hy-droxy-benzoato-κO,O')bis-(pyridine-κN)copper(II).

Project description:In the title compound, [Cu(C(7)H(5)O(3))(2)(C(5)H(5)N)(2)], the Cu atom is located on an inversion center and is coordinated by the N atoms of the two pyridine ligands, trans to each other, and to the carboxyl-ate O atoms of two bidentate 4-hy-droxy-benzoate ligands [Cu-O = 1.9706 (10) and 2.5204 (11) Å]. Hydrogen bonding between hy-droxy H and carboxyl-ate O atoms results in a layer structure parallel to the ab plane.

| S-EPMC3151994 | biostudies-literature

Bis(μ-2,4-dihy-droxy-benzoato-κO:O')bis-[aqua-(2,4-dihy-droxy-benzoato-κO)(1,10-phenanthroline-κN,N')cadmium(II)].

Project description:In the title centrosymmetric dimeric Cd(II) complex, [Cd(2)(C(7)H(5)O(4))(4)(C(12)H(8)N(2))(2)(H(2)O)(2)], the Cd(II) cation is coord-inated by a bidentate phenanthroline (phen) ligand, three dihy-droxy-benzoate (dhba) anions and one water mol-ecule in a distorted CdN(2)O(4) octa-hedral geometry. Among the dhba anions, two anions bridge two Cd(II) cations to form the dimeric complex with significant different Cd-O bond distances of 2.2215 (19) and 2.406 (2) Å. The centroid-centroid distance of 3.4615 (19) Å between two nearly parallel benzene rings of the dhba and phen ligands coordinating to the same Cd(II) cation indicates the existence of intra-molecular π-π stacking in the complex. Extensive O-H⋯O hydrogen bonding and inter-molecular weak C-H⋯O hydrogen bonding help to stabilize the crystal structure. One hy-droxy group of the monodentate dhba ligand is disordered over two sites with a site-occupancy ratio of 0.9:0.1.

| S-EPMC3006915 | biostudies-literature

catena-Poly[[(4-methyl-benzoato-κO)manganese(II)]-μ-aqua-bis-(μ-4-methyl-benzoato-κO:O')[(4-methyl-benzoato-κO)manganese(II)]-bis-(μ-N,N-diethyl-nicotinamide)-κN:O;O:N].

Project description:The asymmetric unit of the title complex, [Mn(2)(C(8)H(7)O(2))(4)(C(10)H(14)N(2)O)(2)(H(2)O)](n), contains two crystallographically independent units. In each one, the Mn(II) ions are bridged by two 4-methyl-benzoate (PMB) ligands and one water mol-ecule. In the crystal structure, each Mn(II) ion is coordinated by three PMB ligands, one water mol-ecule and two symmetry-related N,N-diethyl-nicotinamide (DENA) ligands. Symmetry-related Mn(II) ions are bridged by the N and O atoms of symmetry-related DENA ligands, forming polymeric chains parallel to [100]. The coord-ination environmnts for the Mn(II) ions are slightly distorted octa-hedral. Intra-molecular O-H⋯O hydrogen bonds link bridging water mol-ecules to the carboxyl-ate O atoms of a neigh-boring polymeric chain. In the crystal structure, π-π contacts between benzene rings [centroid-centroid distance = 3.562 (1) Å] and weak C-H⋯π inter-actions are also observed.

| S-EPMC3006929 | biostudies-literature

Bis(4-meth-oxy-benzoato)-κO,O';κO-bis-(nicotinamide-κN)zinc(II).

Project description:The asymmetric unit of the title complex, [Zn(C(8)H(7)O(3))(2)(C(6)H(6)N(2)O)(2)], contains three crystallographically independent mol-ecules with similar configurations. The Zn(II) cation is coordinated by two N atoms of two nicotinamide ligands and three O atoms from two 4-meth-oxy-benzoate anions in a distorted trigonal-bipyramidal geometry. In each independent mol-ecule, one Zn-O bond distance [2.5181 (12), 2.5931 (12) and 2.4085 (12) Å for the three mol-ecules] is significantly longer than the other two. In the crystal structure, extensive N-H⋯O and C-H⋯O hydrogen bonding links the mol-ecules into a three-dimensional network. π-π contacts between the pyridine rings and between the pyridine and benzene rings [centroid-centroid distances = 3.7655 (9) and 3.8453 (10) Å, respectively] further stabilize the crystal structure.

| S-EPMC3007960 | biostudies-literature

Diaqua-bis(2-chloro-benzoato-κO)bis-(nicotinamide-κN)nickel(II).

Project description:The title Ni(II) complex, [Ni(C(7)H(4)ClO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom located on an inversion centre. The mol-ecule contains two 2-chloro-benzoate (CB) and two nicotinamide (NA) ligands and two water mol-ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 29.48 (16)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.16 (5)°. In the crystal structure, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into infinite chains. π-π Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.952 (1) Å] may further stabilize the crystal structure. There is also a C-H⋯π inter-action.

| S-EPMC2968958 | biostudies-literature

Aqua-bis-(4-chloro-2-hy-droxy-benzoato-κO)(1,10-phenanthroline-κN,N')zinc(II).

Project description:In the title compound, [Zn(C(7)H(4)ClO(3))(2)(C(12)H(8)N(2))(H(2)O)], the Zn(II) cation is coordinated by two 4-chloro-2-salicylate anions, one 1,10-phenanthroline ligand and one water mol-ecule in a square-pyramidal coordination geometry; the Zn cation lies 0.4591 (11) Å from the basal plane. The benzene rings of the anions are involved in π-π stacking. The centroid-centroid distance between parallel benzene rings of adjacent mol-ecules is 3.9017 (17) Å, and the centroid-centroid distance between benzene and pyridine rings of adjacent mol-ecules is 3.584 (2) Å. Intra-molecular O-H⋯O hydrogen bonding is present.

| S-EPMC3151932 | biostudies-literature

Bis(μ-4-hydroxy-benzoato-κO:O')bis-[triaqua-bis(4-hydroxy-benzoato)-κO;κO,O'-terbium(III)] deca-hydrate.

Project description:The title dinuclear compound, [Tb(2)(C(7)H(5)O(3))(6)(H(2)O)(6)]·10H(2)O, lies on a center of inversion and the two Tb(III) atoms are bridged by two 4-hydroxy-benzoate anions; each metal atom is further coordinated by one monodentate anion and chelated by the third anion. The eight-coordinate geometry approximates a square anti-prism. Hydrogen bonds of the O-H⋯O type connect the uncoordinated water mol-ecules to the dinuclear species, forming a three-dimensional network.

| S-EPMC2979992 | 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

Bis(5-hy-droxy-isophthalato-κO (1))bis-[4-(pyridine-3-carboxamido-κN (3))pyridinium]copper(II) tetra-hydrate.

Project description:In the title compound, [Cu(C11H10N3O)2(C8H4O5)2]·4H2O, the Cu(II) ion, located on a crystallographic inversion center, is coordinated in a square-planar environment by two trans-O atoms belonging to two monodentate 5-hy-droxy-isophthalate (hip) dianions and two trans nicotinamide pyridyl N-donor atoms from monodentate protonated pendant N-(pyridin-4-yl)nicotinamide (4-pnaH) ligands. The protonated 4-pyridyl-amine groups engage in N-H(+)⋯O(-) hydrogen-bond donation to unligated hip O atoms to construct supra-molecular chain motifs parallel to [100]. Water mol-ecules of crystallization, situated between the chains, engage in O-H⋯O hydrogen bonding to form supra-molecular layers and the overall three-dimensional network structure.

| S-EPMC3884997 | biostudies-literature

Diaqua-bis(N,N-diethyl-nicotinamide-κN)bis-(4-formyl-benzoato-κO)cobalt(II).

Project description:In the crystal structure of the title Co(II) complex, [Co(C(8)H(5)O(3))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the metal centre is located on an inversion center and is coordinated by two 4-formyl-benzoate (FOB), two diethyl-nicotinamide (DENA) ligands and two water mol-ecules in a slightly distorted CoO(4)N(2) octa-hedral geometry. In the crystal structure, O-H⋯O hydrogen bonds link the mol-ecules into infinite chains. π-π contacts between the parallel pyridine rings of neighboring DENA ligands [centroid-centroid distance = 3.652 (3) Å] further stabilize the crystal structure.

| S-EPMC2968947 | biostudies-literature

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