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Diaqua-bis-(2-chloro-benzoato-?O)bis-(nicotinamide-?N (1))cobalt(II).

ABSTRACT: In the title complex, [Co(C7H4ClO2)2(C6H6N2O)2(H2O)2], the Co(II) cation is located on an inversion center and is coord-inated by two 2-chloro-benzoate anions, two nicotin-amide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Co(II) cation form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 29.7?(4)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.17?(15)°. Intra-molecular O-H?O hydrogen bonding occurs between the carboxyl-ate group and coordinating water mol-ecule. In the crystal, inter-molecular N-H?O, O-H?O and weak C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

SUBMITTER: Dincel O

PROVIDER: S-EPMC3588457 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

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Diaqua-bis-(2-chloro-benzoato-κO)bis-(nicotinamide-κN (1))cobalt(II).

Dincel Oznur O Tercan Barış B Oztürkkan Füreya Elif FE Necefoğlu Hacali H Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20130228 Pt 3

In the title complex, [Co(C7H4ClO2)2(C6H6N2O)2(H2O)2], the Co(II) cation is located on an inversion center and is coord-inated by two 2-chloro-benzoate anions, two nicotin-amide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Co(II) cation form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between ...[more]

PMID: 23476513

Similar Datasets

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

Diaqua-bis(4-methyl-amino-benzoato-?O)bis-(nicotinamide-?N)cobalt(II).

Project description:The asymmetric unit of the title Co(II) complex, [Co(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], contains two half complex mol-ecules with similar structures. The Co(II) atoms are each located on an inversion center and each is coordinated by two 4-methyl-amino-benzoate (PMAB), two nicotinamide (NA) ligands and two water mol-ecules in a distorted octa-hedral coordination. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 3.0?(3) and 2.54?(19)°, while the pyridine and benzene rings are oriented at dihedral angles of 67.40?(8) and 66.25?(8)°. In the crystal structure, inter-molecular O-H?O and N-H?O hydrogen bonds link the mol-ecules into a supra-molecular structure.

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Diaqua-bis-(4-formyl-benzoato-?O(1))bis-(nicotinamide-?N(1))cobalt(II).

Project description:In the title complex, [Co(C(8)H(5)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Co(II) cation is located on an inversion center and is coordinated by two 4-formyl-benzoate (FB) anions, two nicotinamide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Co(II) cation 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-ate group and the adjacent benzene ring is 23.91?(9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 88.84?(4)°. The coordinating water mol-ecule links with the carboxyl-ate group via an intra-molecular O-H?O hydrogen bond. In the crystal, N-H?O, O-H?O and weak C-H?O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network. ?-? stacking between the parallel benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.8505?(8)?Å] may further stabilize the structure. A weak C-H?? inter-action also occurs in the crystal.

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Diaqua-bis-(N,N-diethyl-nicotinamide-?N)bis-(4-ethyl-benzoato-?O)cobalt(II).

Project description:The title Co(II) complex, [Co(C(9)H(9)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains two 4-ethyl-benzoate (PEB), two monodentate diethyl-nicotinamide (DENA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Co(II) ion 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. 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 4.52?(18) and 4.56?(18)°, while the pyridine rings and the benzene rings are oriented at dihedral angles of 7.76?(10) and 5.67?(13)°. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into chains propagating along [010]. C-H?O inter-actions and a ?-? contact between the pyridine rings [centroid-centroid distance = 3.476?(2)?Å] are also observed.

| S-EPMC3089307 | 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.

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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

Diaqua-bis(4-chloro-benzoato-?O)bis-(N,N-diethyl-nicotinamide-?N)manganese(II).

Project description:The title compound, [Mn(C(7)H(4)ClO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], is a monomeric complex with the Mn(II) atom lying on an inversion center. It contains two 4-chloro-benzoate and two diethyl-nicotinamide ligands and two water mol-ecules, all of which are 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 geometry is completed by two N atoms in the axial positions. In the crystal structure, O-H?O hydrogen bonds link the mol-ecules into an infinite chain.

| S-EPMC2960864 | biostudies-literature

Diaqua-bis(2-chloro-benzoato-?O)bis-(N,N-diethyl-nicotinamide-?N)manganese(II).

Project description:In the monomeric title complex, [Mn(C(7)H(4)ClO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Mn(II) atom is located on a crystallographic centre of inversion. The asymmetric unit contains one 2-chloro-benzoate (CB) ligand, one diethyl-nicotinamide (DENA) ligand and one coordinated water mol-ecule, 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 slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 77.9?(11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 45.94?(5)°. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules into infinite chains.

| S-EPMC2977573 | biostudies-literature

Diaqua-bis(2-chloro-benzoato-?O)bis-(N,N-diethyl-nicotinamide-?N)nickel(II).

Project description:In the monomeric and centrosymmetric title Ni(II) complex, [Ni(C(7)H(4)ClO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Ni(II) ion is located on an inversion center. The asymmetric unit contains one 2-chloro-benzoate ligand, one diethyl-nicotinamide (DENA) ligand and one coordinating water mol-ecule, the ligands being monodentate. The four O atoms in the equatorial plane around the Ni(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 axial positions. The dihedral angle between the benzene ring and the attached carboxyl-ate group is 87.36?(10)°, while the pyridine and benzene rings are oriented at an angle of 41.90?(5)°. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (10).

| S-EPMC2977595 | biostudies-literature

Diaqua-bis(2-bromo-benzoato-?O)bis-(nicotinamide-?N)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?? inter-action is also present.

| S-EPMC2977639 | biostudies-literature

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