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Di-?-nicotinamide-?(2) N (1):O;?(2) O:N (1)-bis-[aqua-bis-(3-chloro-benzoato-?(2) O,O')cadmium].

ABSTRACT: In the centrosymmetric dinuclear title compound, [Cd2(C7H4ClO2)4(C6H6N2O)2(H2O)2], the Cd(II) atom is coord-inated by one N atom from one bridging nicotinamide ligand and one O atom from another symmetry-related bridging nicotinamide ligand, four O atoms from two 3-chloro-benzoate ligands and one water mol-ecule in an irregular geometry. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 6.98?(12) and 2.42?(13)°, while the benzene rings are oriented at a dihedral angle of 4.33?(6)°. 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 [3.892?(1)?Å between the pyridine rings and 3.683?(1)?Å between the benzene rings] further stabilize the structure.

SUBMITTER: Bozkurt N

PROVIDER: S-EPMC3772423 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Di-μ-nicotinamide-κ(2) N (1):O;κ(2) O:N (1)-bis-[aqua-bis-(3-chloro-benzoato-κ(2) O,O')cadmium].

Bozkurt Nihat N Dilek Nefise N Caylak Delibaş Nagihan N Necefoğlu Hacali H Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20130615 Pt 7

In the centrosymmetric dinuclear title compound, [Cd2(C7H4ClO2)4(C6H6N2O)2(H2O)2], the Cd(II) atom is coord-inated by one N atom from one bridging nicotinamide ligand and one O atom from another symmetry-related bridging nicotinamide ligand, four O atoms from two 3-chloro-benzoate ligands and one water mol-ecule in an irregular geometry. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 6.98 (12) and 2.42 (13)°, while the benzene rings are oriented at a dihed ...[more]

PMID: 24046566

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Aqua-bis-(3-chloro-benzoato-?O)bis-(N,N-di-ethyl-nicotinamide-?N)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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Poly[?-aqua-bis-(?5-2,4-di-chloro-benzoato)dipotassium].

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Di-aqua-bis-(3-chloro-benzoato-?O)bis-(nicotinamide-?N (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). ?-? stacking between parallel pyridine rings of adjacent mol-ecules [centroid-centroid distance = 3.7765?(8)?Å] further stabilizes the crystal structure.

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

Project description: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.

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Crystal structure of trans-di-aqua-bis-(nicotinamide-?N (1))bis-(4-nitro-benzoato-?O)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 ?-? stacking inter-action [centroid-centroid distance = 3.868?(2)?Å] and a weak C-H?? inter-action, resulting in a three-dimensional network.

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Crystal structure of trans-di-aqua-bis-(4-cyano-benzoato-?O)bis-(N,N-di-ethyl-nicotinamide-?N)zinc(II).

Project description:In the title complex, [Zn(C8H4NO2)2(C10H14N2O)2(H2O)2], the ZnII cation, located on an inversion centre, is coordinated by two water mol-ecules, two 4-cyano-benzoate (CB) anions and two di-ethyl-nicotinamide (DENA) ligands in a distorted N2O4 octa-hedral geometry. In the mol-ecule, the dihedral angle between the planar carboxyl-ate group and the adjacent benzene ring is 9.50?(14)°, while the benzene and pyridine rings are oriented at a dihedral angle of 56.99?(5)°. The water mol-ecules exhibit both an intra-molecular hydrogen bond [to the non-coordinating carboxyl-ate O atom, enclosing an S(6) hydrogen-bonding motif, where O?O = 2.6419?(19)?Å] and an inter-molecular hydrogen bond [to the amide carbonyl O atom, enclosing an R22(16) ring motif, where O?O = 2.827?(2)?Å]; the latter lead to the formation of supra-molecular chains propagating along the [110] direction.

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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].

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Bis[?-4-(dimethyl-amino)-benzoato]-?O,O':O;?O:O,O'-bis-{aqua-[4-(dimethyl-amino)-benzoato-?O,O'](nicotinamide-?N)cadmium(II)}.

Project description:In the centrosymmetric dimeric Cd(II) title compound, [Cd(2)(C(9)H(10)NO(2))(4)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], each seven-coordin-ated Cd(II) atom is chelated by the carboxyl-ate groups of the two 4-(dimethyl-amino)-benzoate (DMAB) anions; the two monomeric units are bridged through the two O atoms of the two carboxyl groups. In the crystal structure, inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. ?-? contacts between the pyridine rings [centroid-centroid distance = 3.974?(1)?Å] may further stabilize the structure. Weak C-H?? inter-actions are also observed.

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Bis[?-4-(methyl-amino)-benzoato]-?O,O':O;?O:O,O'-bis-{aqua-[4-(methyl-amino)-benzoato-?O,O'](nicotinamide-?N)cadmium(II)}.

Project description:In the dinuclear centrosymmetric Cd(II) compound, [Cd(2)(C(8)H(8)NO(2))(4)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the metal atom is chelated by two carboxyl-ate groups from 4-(methyl-amino)-benzoate (PMAB) anions, and coordinated by one nicotinamide and one water mol-ecule; a carboxyl-ate O atom from the adjacent PMAB anion bridges to the Cd atom, completing the irregular seven-coordination geometry. In the crystal, inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. ?-? contacts between the pyridine rings [centroid-centroid distance = 3.965?(1)?Å] may further stabilize the structure. A weak C-H?? inter-action also occurs.

| S-EPMC3011491 | biostudies-literature

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