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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)}.

ABSTRACT: 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.

SUBMITTER: Hokelek T

PROVIDER: S-EPMC3011491 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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

Hökelek Tuncer T Sağlam Ertuğrul Gazi EG Tercan Barış B Aybirdi Ozgür O Necefoğlu Hacali H

Acta crystallographica. Section E, Structure reports online 20101113 Pt 12

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-di ...[more]

PMID: 21589250

Similar Datasets

Bis[μ-4-(dimethyl-amino)-benzoato]-κO,O':O;κO:O,O'-bis-{aqua-[4-(dimethyl-amino)-benzoato-κO,O'](nicotinamide-κN)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. π-π contacts between the pyridine rings [centroid-centroid distance = 3.974 (1) Å] may further stabilize the structure. Weak C-H⋯π inter-actions are also observed.

| S-EPMC3007006 | biostudies-literature

Bis[4-(methyl-amino)benzoato-κO]bis-(nicotinamide-κN)zinc(II).

Project description:The title zinc complex, [Zn(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)], is composed of two monodentate 4-(methyl-amino)benzoate and two monodentate nicotinamide ligands. The coordination around the Zn atom is distorted tetra-hedral. The dihedral angles between the two benzene rings and the two pyridine rings are 78.30 (6) and 68.86 (5)°. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into an infinite three-dimensional network.

| S-EPMC2968013 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-κN1)bis-(2,4,6-tri-methyl-benzoato-κ2O,O')cadmium(II).

Project description:The asymmetric unit of the title complex, [Cd(C10H11O2)2(C6H6N2O)2(H2O)], contains one half of the complex mol-ecule, with the CdII cation and the coordinated water O atom residing on a twofold rotation axis. The CdII cation is coordinated in a bidentate manner to the carboxyl-ate O atoms of the two symmetry-related 2,4,6-tri-methyl-benzoate (TMB) anions and to the water O atom at distances of 2.297 (2), 2.527 (2) and 2.306 (3) Å to form a distorted penta-gonal arrangement, while the distorted penta-gonal-bipyramidal coordin-ation sphere is completed by the two pyridine N atoms of the two symmetry-related monodentate nicotinamide (NA) ligands at distances of 2.371 (3) Å in the axial positions. In the crystal, mol-ecules are linked via inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds with R22(12), R33(8), R33(14), R33(16), R33(20), R33(22), R44(22), R55(16), R66(16) and R66(18) ring motifs, forming a three-dimensional architecture. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are H⋯H (56.9%), H⋯C/C⋯H (21.3%) and H⋯O/O⋯H (19.0%) inter-actions.

| S-EPMC5956347 | biostudies-literature

Aqua-bis(1H-imidazole-κN)bis-(4-methyl-benzoato-κO,O')cadmium(II).

Project description:In the title compound, [Cd(C(8)H(7)O(2))(2)(C(3)H(4)N(2))(2)(H(2)O)], the Cd(II) atom is coordinated by four carboxyl-ate O atoms from two bidentate chelating 4-methyl-benzoate ligands, two N atoms from two imidazole ligands and one water mol-ecule in a distorted penta-gonal bipyramidal geometry. Inter-molecular O-H⋯O hydrogen bonds between the coordinated water mol-ecule and the carboxyl-ate O atoms of 4-methyl-benzoate lead to an infinite chain. These chains are further self-assembled into a two-dimensional layer through N-H⋯O hydrogen bonds between the imidazole ligands and carboxyl-ate groups. One of the imidazole ligands is disordered over two positions with site-occupancy factors of 0.737 (4) and 0.263 (4).

| S-EPMC2961263 | biostudies-literature

Tetra-aqua-bis[4-(methyl-amino)benzoato-?O]nickel(II).

Project description:The title complex, [Ni(C(8)H(8)NO(2))(2)(H(2)O)(4)], is centrosymmetric with the Ni(II) ion located on a centre of symmetry. It contains two 4-(methyl-amino)benzoate (PMAB) anions and four coordinated water mol-ecules. 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 O atoms of the PMAB anions in the axial positions. In the crystal structure, inter-molecular O-H?O, O-H?N, N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2979289 | 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.

| S-EPMC2984056 | biostudies-literature

Diaqua-bis(4-methyl-amino-benzoato-κO)bis-(nicotinamide-κN)nickel(II).

Project description:The title Ni(II) complex, [Ni(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom on an inversion center. The mol-ecule contains two 4-methyl-amino-benzoate (MAB) 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 2.09 (14)°, while the pyridine and benzene rings are oriented at a dihedral angle of 66.15 (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.

| S-EPMC2977638 | biostudies-literature

Bis(?-4-methyl-benzoato-?O:O')bis-[aqua-(4-methyl-benzoato-?O,O')zinc(II)]-bis-(?-4-methyl-benzoato-?O:O')bis-[(4-methyl-benzoato-?O)(nicotinamide-?N)zinc(II)]-water (1/1/2).

Project description:The crystal structure of the title compound, [Zn(2)(C(8)H(7)O(2))(4)(H(2)O)(2)]·[Zn(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)]·2H(2)O, consists of two kinds of dinuclear Zn(II) complexes (complex A and complex B) and uncoordinated water mol-ecules. In complex A, [Zn(2)(C(8)H(7)O(2))(4)(H(2)O)(2)], each Zn cation is chelated by a 4-methyl-benzoate (PMB) anion and coordinated by a water mol-ecule, and is further bridged by two PMB anions in a trigonal-bipyramidal geometry. In complex B, [Zn(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)], each Zn(II) cation is coordinated by a monodentate PMB anion and one nicotinamide (NA) ligand, and is further bridged by two PMB anions in a tetra-hedral geometry. Weak intra-mol-ecular ?-? stacking between adjacent benzene rings is observed in complex B, the centroid-centroid distance being 3.710?(2)?Å. Extensive O-H?O and N-H?O hydrogen bonding and weak C-H?O hydrogen bonding is present in the crystal structure. The crystal studied was a racemic twin; the minor twin component refined to 38%.

| S-EPMC3006769 | biostudies-literature

Bis(?-4-methyl-benzoato)-?(3) O,O':O;?(3) O:O,O'-bis-[aqua-(4-methyl-benzoato-?(2) O,O')(nicotinamide-?N (1))cadmium].

Project description:In the dinuclear centrosymmetric title compound, [Cd2(C8H7O2)4(C6H6N2O)2(H2O)2], the Cd(II) ion is chelated by two carboxyl-ate groups from 4-methyl-benzoate anions, and is further coordinated by one nicotinamide and one water mol-ecule; a carboxyl-ate O atom from an adjacent 4-methyl-benzoate anion bridges to the Cd(II) ion, completing the irregular coordination sphere of the seven ligand atoms. In the crystal, inter-molecular O-H?O, N-H?O and weak C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. The methyl-benzene moiety of one bridging 4-methyl-benzoate anion is disordered over two orientations of equal occupancy.

| S-EPMC3588758 | biostudies-literature

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

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