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Catena-Poly[[[bis-(4-bromo-benzoato-κO)zinc]-μ-1,2-bis-(4-pyrid-yl)ethene-κN:N'] acetonitrile monosolvate].

ABSTRACT: In the title coordination compound, {[Zn(C(7)H(4)BrO(2))(2)(C(12)H(10)N(2))]·CH(3)CN}(n), the Zn(II) atom is four-coordinated in a distorted tetra-hedral environment by two carboxyl-ate O atoms from two different 4-bromo-benzoate (bpe) ligands and two N atoms from two symmetry-related 1,2-bis-(4-pyrid-yl)ethene ligands. The Zn(II) atoms are bridged by the bpe ligands, which lie across centres of inversion, forming a zigzag chain along [001]. The void space of each unit cell is occupied by an acetonitrile solvent mol-ecule, which is connected to the complex mol-ecule by a weak C-H⋯N hydrogen bond.

SUBMITTER: Li NY

PROVIDER: S-EPMC3246974 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Diaqua-bis(2-bromo-benzoato-κO)bis-(nicotinamide-κN)zinc(II).

Project description:The title Zn(II) complex, [Zn(C(7)H(4)BrO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Zn atom on an inversion center. The mol-ecule contains two 2-bromo-benzoate (BB) and two nicotinamide (NA) ligands and two coordinated water mol-ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Zn 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 31.14 (12)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.54 (5)°. In the crystal structure, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into infinite chains. A weak C-H⋯π inter-action is also present.

| S-EPMC2977639 | biostudies-literature

Diaqua-bis-(2-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)cobalt(II).

Project description:In the mononuclear title compound, [Co(C(7)H(4)BrO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Co(II) ion is located on a crystallographic inversion center. The asymmetric unit is completed by one 2-bromo-benzoate anion, one diethyl-nicotinamide (DENA) ligand and one coordinated water mol-ecule; all ligands are monodentate. The four O atoms in the equatorial plane around Co(II) form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the DENA ligands in axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 84.7 (1)°; the pyridine and benzene rings are oriented at a dihedral angle of 43.64 (6)°. In the crystal structure, inter-molecular O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3007909 | biostudies-literature

Diaqua-bis(2-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)manganese(II).

Project description:The title Mn(II) complex, [Mn(C(7)H(4)BrO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], is centrosymmetric. The mol-ecule contains two 2-bromo-benzoate (BB) and two diethyl-nicotinamide (DENA) ligands and two water mol-ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Mn atom form a slightly distorted square-planar arrangement, while the distorted octa-hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 79.95 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 45.66 (6)°. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into infinite chains.

| S-EPMC2977587 | biostudies-literature

Diaqua-bis(2-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)zinc(II).

Project description:In the centrosymmetric title complex, [Zn(C(7)H(4)BrO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Zn(II) atom is located on an inversion center. The asymmetric unit contains one 2-bromo-benzoate (BB), one diethyl-nicotinamide (DENA) ligand and one coordinating water molecule. The four O atoms in the equatorial plane around the Zn atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 85.51 (12)°, while the pyridine and benzene rings are oriented at a dihedral angle of 44.07 (6)°. In the crystal structure, O-H⋯O hydrogen bonds link the mol-ecules into infinite chains.

| S-EPMC2977549 | biostudies-literature

Diaqua-bis-(4-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)manganese(II).

Project description:In the crystal structure of the title Mn(II) complex, [Mn(C(7)H(4)BrO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Mn(II) cation is located on an inversion center and coordinated by two diethyl-nicotinamide (DENA) ligands, two 4-bromo-benzoate (PBB) anions and two water mol-ecules in a distorted octa-hedral geometry. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 3.25 (14)°. In the mol-ecule, the pyridine ring and the benzene ring are oriented at a dihedral angle of 77.24 (5)°. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network. Weak inter-molecular C-H⋯O hydrogen bonds and π-π inter-actions between the pyridine rings of neighbouring mol-ecules [centroid-centroid distance = 3.537 (1) Å] further consolidate the crystal packing.

| S-EPMC3200634 | biostudies-literature

Diaqua-bis-(4-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)copper(II).

Project description:The title Cu(II) complex, [Cu(C(7)H(4)BrO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains two 4-bromo-benzoate (PBB), two diethyl-nicotinamide (DENA) monodentate ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Cu(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by two N atoms of the DENA ligands in the axial positions. Intra-molecular O-H⋯O hydrogen bonds link the water mol-ecules to the carboxyl-ate groups. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 3.1 (3) and 3.74 (17)°, while the pyridine rings and the benzene rings are oriented at dihedral angles of 6.81 (10) and 3.38 (12)°. In the crystal, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into double chains along the b axis. C-H⋯O inter-actions are also observed. π-π contacts between pyridine rings [centroid-centroid distance = 3.485 (2) Å] may further stabilize the crystal structure.

| S-EPMC3200662 | biostudies-literature

catena-Poly[[bis-(4-methyl-benzoato-κO:O')lead(II)]-μ-nicotinamide-κN:O].

Project description:In the title compound, [Pb(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)](n), the Pb(II) ion is coordinated by two 4-methyl-benzoate (PMB) and one nicotinamide (NA) ligands while symmetry-related NA ligands bridge adjacent Pb(II) ions, forming polymeric chains along the c axis. The carboxyl-ate groups in the two PMB ions are twisted away from the attached benzene ring by 22.9 (2) and 4.6 (2)°. The two benzene rings of the PMB ions are oriented at a dihedral angle of 83.7 (1)°. In a polymeric chain, the NA ligands are linked to PMB ions through intra-molecular N-H⋯O hydrogen bonds. In the crystal structure, adjacent polymeric chains inter-act via N-H⋯O and C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane.

| S-EPMC3007553 | biostudies-literature

Aqua-(4-bromo-benzoato-κO)bis-(1,10-phenanthroline-κN,N')zinc(II) 4-bromo-benzoate 1.5-hydrate.

Project description:In the title compound, [Zn(C(7)H(4)BrO(2))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(4)BrO(2))·1.5H(2)O, the Zn(II) atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, one O atom from a 4-bromo-benzoate ligand and one water mol-ecule, completing a distorted ZnN(4)O(2) octa-hedral geometry. The two phen ligands exhibit nearly perfect coplanarity (r.m.s. deviations = 0.027 and 0.031 Å), making a dihedral angle of 85.7 (1)°. The mean inter-planar distances of 3.36 (2) and 3.41 (3) Å between adjacent phen ligands indicate π-π stacking inter-actions. The uncoordinated water mol-ecules are partly occupied. One carboxyl-ate O atom and two Br atoms are each disordered over two sites, with occupancy factors of 0.60 and 0.40. In the crystal structure, O-H⋯O and C-H⋯O hydrogen bonds and π-π stacking inter-actions link the complex cations, uncoordinated 4-bromo-benzoate anions and water mol-ecules into a three-dimensional supra-molecular network. An intra-molecular O-H⋯·O hydrogen bond is observed in the cation.

| S-EPMC3009099 | biostudies-literature

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

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

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