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Di-?-nicotinamide-?N:O;?O:N-bis-[aqua-bis-(4-bromo-benzoato)-?O;?O,O'-manganese(II)].

ABSTRACT: In the centrosymmetric dinuclear title compound, [Mn(2)(C(7)H(4)BrO(2))(4)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Mn(II) atom is coordinated by one N atom from one bridging nicotinamide ligand and one O atom from another symmetry-related bridging nicotinamide ligand, three O atoms from two 4-bromo-benzoate ligands and one water mol-ecule in a distorted octa-hedral geometry. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 10.89?(16) and 8.4?(2)°, while the benzene rings are oriented at a dihedral angle of 6.09?(13)°. Inter-molecular O-H?O, N-H?O and weak C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. ?-? inter-actions, indicated by short centroid-centroid distances [3.845?(2)?Å between the benzene rings, 3.650?(2)?Å between the pyridine rings and 3.700?(3)?Å between the benzene and pyridine rings] further stabilize the structure.

SUBMITTER: Necefoglu H

PROVIDER: S-EPMC3212190 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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Di-μ-nicotinamide-κN:O;κO:N-bis-[aqua-bis-(4-bromo-benzoato)-κO;κO,O'-manganese(II)].

Necefoğlu Hacali H Ozbek Füreya Elif FE Oztürk Vijdan V Adıgüzel Vedat V Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20110723 Pt 8

In the centrosymmetric dinuclear title compound, [Mn(2)(C(7)H(4)BrO(2))(4)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Mn(II) atom is coordinated by one N atom from one bridging nicotinamide ligand and one O atom from another symmetry-related bridging nicotinamide ligand, three O atoms from two 4-bromo-benzoate ligands and one water mol-ecule in a distorted octa-hedral geometry. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 10.89 (16) and 8.4 (2)°, while the benzen ...[more]

PMID: 22090892

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Crystal structure of trans-di-aqua-bis-(nicotinamide-κN (1))bis-(4-nitro-benzoato-κO)manganese(II).

Project description:The asymmetric unit of the title compound, [Mn(C7H4NO4)2(C6H6N2O)2(H2O)2], contains one Mn(II) atom, one 4-nitro-benzoate (NB) anion, one nicotinamide (NA) ligand and one water mol-ecule; NA and NB each act as a monodentate ligand. The Mn(II) atom, lying on an inversion centre, is coordinated by four O atoms and two pyridine N atoms in a distorted octa-hedral geometry. The water mol-ecules are hydrogen bonded to the carboxyl-ate O atoms. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 24.4 (3)°, while the benzene and pyridine rings are oriented at a dihedral angle of 86.63 (11)°. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules, forming a layer parallel to the ab plane. The layers are further linked via weak C-H⋯O hydrogen bonds, a π-π stacking inter-action [centroid-centroid distance = 3.868 (2) Å] and a weak C-H⋯π inter-action, resulting in a three-dimensional network.

| S-EPMC4908509 | biostudies-literature

Di-aqua-bis-(3-chloro-benzoato-κO)bis-(nicotinamide-κN (1))cobalt(II).

Project description:In the title complex, [Co(C7H4ClO2)2(C6H6N2O)2(H2O)2], the Co(II) atom is located on an inversion center and is coordinated by two 3-chloro-benzoate (CB) anions, two nicotinamide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane 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 9.14 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 82.18 (8)°. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network lying parallel to (101). π-π stacking between parallel pyridine rings of adjacent mol-ecules [centroid-centroid distance = 3.7765 (8) Å] further stabilizes the crystal structure.

| S-EPMC3684906 | 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.

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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.

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Crystal structure and Hirshfeld surface analysis of di-aqua-bis-(N,N-di-ethyl-nicotinamide-κN1)bis-(2,4,6-tri-methyl-benzoato-κO)manganese(II).

Project description:In the title centrosymmetric complex, [Mn(C10H11O2)2(C10H14N2O)2(H2O)2], the MnII cation is located on an inversion centre. The four O atoms form a slightly distorted square-planar arrangement around the MnII cation, and the distorted octa-hedral coordination is completed by two pyridine N atoms at distances of 2.3289 (15) Å. The dihedral angle between the planar carboxyl-ate group and the adjacent benzene ring is 87.73 (16)°, while the benzene and pyridine rings are oriented at a dihedral angle of 43.03 (8)°. In the crystal, the water mol-ecules are involved in both intra-molecular (to the non-coordinating carboxyl-ate O atom) and inter-molecular (to the amide carbonyl O atom) O-H⋯O hydrogen bonds. The latter lead to the formation of layers parallel to (100). These layers are further linked via weak C-H⋯O hydrogen bonds, resulting in a three-dimensional supra-molecular network. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (70.0%), H⋯O/O⋯H (15.5%) and H⋯C/C⋯H (14.0%) inter-actions. One of the ethyl groups of the di-ethyl-nicotinamide ligand is disordered over two sets of sites, with an occupancy ratio of 0.282 (10):0.718 (10).

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Aqua-bis-(3-chloro-benzoato-κO)bis-(N,N-di-ethyl-nicotinamide-κN)copper(II).

Project description:The title compound, [Cu(C7H4ClO2)2(C10H14N2O)2(H2O)], has twofold symmetry with the Cu(II) cation and the O atom of the coordinating water mol-ecule located on the axis. The Cu(II) cation is coordinated by two carboxyl-ate O atoms of chloro-benzoate (CB) anions, two N atoms of N,N-di-ethyl-nicotinamide (DENA) ligands and one water mol-ecule in a distorted N2O3 square-pyramidal geometry. The benzene and pyridine rings are oriented at a dihedral angle of 82.51 (6)°. In the anionic ligand, the carboxyl-ate group is twisted away from the attached benzene ring by 12.85 (11)°. In the crystal, O-H⋯O hydrogen bonds between the coordinating water mol-ecule and the carboxyl group link the complex mol-ecules into supra-molecular chains running along the c-axis direction.

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Crystal structure of trans-di-aqua-bis-(4-cyano-benzoato-?O)bis-(nicotinamide-?N (1))cobalt(II).

Project description:In the title complex, [Co(C8H4NO2)2(C6H6N2O)2(H2O)2], the Co(II) atom is located on an inversion centre and is coordinated by two 4-cyano-benzoate (CNB) anions, two nicotinamide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination sphere 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 22.11?(15)°, while the pyridine and benzene rings are oriented at a dihedral angle of 89.98?(5)°. In the crystal, inter-molecular N-H?O and O-H?O hydrogen bonds link the mol-ecules, enclosing R 2 (2)(8) and R 4 (4)(8) ring motifs, forming layers parallel to (100). The layers are linked via C-H?O and C-H?N hydrogen bonds, resulting in a three-dimensional network. A weak C-H?? inter-action is also observed.

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Aqua-bis-(4-fluoro-benzoato-?O)bis-(nicotinamide-?N)copper(II) nicotinamide hemisolvate trihydrate.

Project description:The asymmetric unit of the title compound, [Cu(C(7)H(4)FO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·0.5C(6)H(6)N(2)O·3H(2)O, contains two aqua-bis-(4-fluoro-benzoato)bis-(nicotinamide)-copper(II) mol-ecules, one nicotinamide solvent mol-ecule and six water mol-ecules. The Cu(II) ion is coordinated by two O atoms from two 4-fluoro-benzoate ligands, two N atoms from two nicotinamide ligands and one water O atom in a distorted square-pyramidal geometry. In the crystal, O-H?O, O-H?N and N-H?O hydrogen bonds consolidate the crystal packing, which also exhibits ?-? inter-actions between the aromatic rings [centroid-centroid distances 3.692?(2)-3.794?(2)?Å].

| S-EPMC3254320 | biostudies-literature

Diaqua-bis(2-bromo-benzoato-?O)bis-(nicotinamide-?N)nickel(II).

Project description:The title Ni(II) complex, [Ni(C(7)H(4)BrO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric. It contains two 2-bromo-benzoate (BB) ligands, two nicotinamide (NA) ligands and two water mol-ecules, all of them 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 30.81?(17)°, while the pyridine and benzene rings are oriented at a dihedral angle of 84.66?(6)°. In the crystal structure, O-H?O and N-H?O hydrogen bonds link the mol-ecules into a supra-molecular structure. A weak C-H?? inter-action is also found.

| S-EPMC2969345 | biostudies-literature

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

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