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Trans-Diaqua-bis-(4-fluoro-benzoato-?O)bis-(nicotinamide-?N)nickel(II).

ABSTRACT: In the mononuclear Ni(II) title complex, [Ni(C(7)H(4)FO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Ni(II) atom, located on an inversion center, is coordinated by two nicotinamide and two 4-fluoro-benzoate ligands and two water mol-ecules in a distorted N(2)O(4) octa-hedral geometry. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 8.95?(8)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 75.01?(7)°. The water mol-ecule links the adjacent carboxyl-ate O atom via an intra-molecular O-H?O hydrogen bond. In the crystal, O-H?O, N-H?O, C-H?O and C-H?F hydrogen bonds link the mol-ecules into a three-dimensional network. ?-? stacking between parallel pyridine rings [centroid-centroid distance = 3.7287?(11)?Å] is also observed.

SUBMITTER: Necefoglu H

PROVIDER: S-EPMC3247555 | BioStudies | 2011-01-01T00:00:00Z

REPOSITORIES: biostudies

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

Project description:The title Ni(II) complex, [Ni(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom located on an inversion center. The mol-ecule contains two 4-methyl-benzoate (PMB) 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 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-ate group and the adjacent benzene ring is 26.15?(10)°, while the pyridine and benzene rings are oriented at a dihedral angle of 87.81?(4)°. In the crystal structure, inter-molecular O-H?O and N-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. The ?-? contact between the benzene rings [centroid-centroid distance = 3.896?(1)?Å] may further stabilize the crystal structure. A weak C-H?? inter-action involving the pyridine ring also occurs.

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2012-01-01 | S-EPMC3393204 | BioStudies

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Project description:The asymmetric unit of the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(8)H(5)O(3))(2)·2H(2)O, contains one-half of the complex cation with the Ni(II) atom located on an inversion center, a 4-formyl-benzoate (FB) counter-anion and an uncoordinated water mol-ecule. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement and the slightly distorted octa-hedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a sligthly longer distance in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 8.14?(11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.46?(6)°. In the crystal structure, O-H?O, N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. ?-? Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.751?(1)?Å] may further stabilize the crystal structure.

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Project description:The asymmetric unit of the title compound, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(5)O(3))(2)·4H(2)O, contains one-half of the complex cation with the Ni(II) ion located on an inversion center, a 3-hy-droxy-benzoate counter-anion and two uncoordinated water mol-ecules. Four water O atoms in the equatorial plane around the Ni(II) ion [Ni-O = 2.052?(2) and 2.079?(2)?Å] form a slightly distorted square-planar arrangement, which is completed up to a distorted octa-hedron by the two N atoms [Ni-N = 2.075?(3)?Å] from two isonicotinamide ligands. In the anion, the carboxyl-ate group is twisted from the attached benzene ring by 8.8?(3)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O-H?O and N-H?O hydrogen bonds, consolidates the crystal packing, which also exhibits ?-? inter-actions between the benzene and pyridine rings, with centroid-centroid distances of 3.455?(2) and 3.621?(2)?Å, respectively.

1000-01-01 | S-EPMC3274920 | BioStudies

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Project description:In the crystal of the title polymeric complex, [Ni(2)(C(18)H(4)O(10))(C(10)H(8)N(2))(H(2)O)(8)](n), each Ni(II) cation is coord-in-ated by four water mol-ecules in the equatorial plane, and is further bridged by an 9,10-dioxo-9,10-dihydro-anthracene-1,4,5,8-tetra-carb-oxy-l-ate anion and a 4,4'-bipyridine ligand in the axial directions, forming a distorted octa-hedral geometry. The 9,10-dioxo-9,10-dihydro-anthracene-1,4,5,8-tetra-carboxyl-ate anion is centrosymmetric with the centroid of the quinone ring located about an inversion center; the 4,4'-bipyridine ligand is also centrosymmetric with the mid-point of the C-C bond linking two pyridine rings located about another invertion center. The 9,10-dioxo-9,10-dihydro-anthracene-1,4,5,8-tetra-carboxyl-ate anion and bypiridine ligand bridge the Ni(II) cations, forming a polymeric chain along the b axis. ?-? stacking is observed between pyridine and benzene rings [centroid-centroid distance = 3.705?(2)?Å]. All of the coordinating water mol-ecules are involved in O-H?O hydrogen bonding.

2012-01-01 | S-EPMC3393213 | BioStudies

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2012-01-01 | S-EPMC3414129 | BioStudies

Diaqua-bis(N,N-diethyl-nicotinamide-?N)bis-[4-(dimethyl-amino)benzoato-?O]nickel(II).

Project description:The centrosymmetric title Ni(II) complex, [Ni(C(9)H(10)NO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains two dimethyl-amino-benzoate (DMAB), two diethyl-nicotinamide (DENA) ligands and two water mol-ecules, all of them monodentate. The four O atoms in the equatorial plane around the Ni(II) 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 axial positions. The Ni(II) atom is displaced by 0.681?(1)?Å out of the least-squares plane of the carboxyl-ate group. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 5.61?(7)°, while the pyridine and benzene rings are oriented at a dihedral angle of 73.20?(4)°. An intra-molecular O-H?O hydrogen bond results in the formation of a six-membered ring with a twisted conformation. In the crystal structure, inter-molecular O-H?O and C-H?O hydrogen bonds link mol-ecules into a three-dimensional network. Two weak C-H?? inter-actions are also present.

1000-01-01 | S-EPMC2977174 | BioStudies

catena-Poly[[aqua-bis-(3-chloro-benzoato-?(2) O,O')cadmium]-?-N,N-di-ethyl-nico-tin-amide-?(2) N (1):O].

Project description:In the crystal of the title Cd(II) polymeric complex, [Cd(C7H4ClO2)2(C10H14N2O)(H2O)] n , the Cd(II) cation is chelated by two chloro-benzoate anions and coordinated by two N,N-di--ethyl-nicotinamide (DENA) ligands and one water mol-ecule in a distorted NO6 penta-gonal-bipyramidal geometry. The Cd(II) cations are bridged by the pyridine N atom and carbonyl O atom of the DENA ligand to form a polymeric chain running along the b axis. Inter-molecular O-H?O hydrogen bonds between coordinating water mol-ecules and carboxyl-ate groups link adjacent chains into layers parallel to the bc plane. ?-? contacts between benzene rings [shortest centroid-centroid distance = 3.912?(2)?Å] further stabilizes the crystal structure. In the mol-ecule, weak C-H?O hydrogen bonds occur between the pyridine ring and carboxyl-ate groups; the dihedral angles between the carboxyl-ate groups and adjacent benzene rings are 4.6?(3) and 12.8?(3)°, while the benzene rings are oriented at a dihedral angle of 1.89?(13)°.

1000-01-01 | S-EPMC3793697 | BioStudies

Diaqua-bis-(4-bromo-benzoato-?O)bis-(N,N-diethyl-nicotinamide-?N)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 ?-? inter-actions between the pyridine rings of neighbouring mol-ecules [centroid-centroid distance = 3.537?(1)?Å] further consolidate the crystal packing.

1000-01-01 | S-EPMC3200634 | BioStudies

Diaqua-bis(2-chloro-benzoato-?O)bis-(nicotinamide-?N)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. ?-? 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?? inter-action.

1000-01-01 | S-EPMC2968958 | BioStudies

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