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Öğe Aquabis(4-formylbenzoato-?2O1,O1?)bis(isonicotinamide-?N1)cadmium(II) monohydrate(Int Union Crystallography, 2009) Hokelek, Tuncer; Yilmaz, Filiz; Tercan, Baris; Gurgen, Ferdi; Necefoglu, HacaliThe asymmetric unit of the title Cd-II complex, [Cd(C8H5O3)(2)(-)(C6H6N2O)(2)(H2O)]center dot H2O, contains two 4-formylbenzoate (FB), two isonicotinamide (INA) ligands, one coordinated and one uncoordinated water molecule; the FB ions act as bidentate ligands. The coordination number of the Cd(II) atom is seven within a CdO5N2 donor set. Intramolecular O-H center dot center dot center dot O hydrogen bonds link the uncoordinated water molecules to the carboxyl groups. The dihedral angle between the carboxylate groups and the adjacent benzene rings are 17.53 (13) and 16.55 (14)degrees. In the crystal structure, intermolecular O-H center dot center dot center dot O, N-H center dot center dot center dot O, N-H center dot center dot center dot N and C-H center dot center dot center dot O hydrogen bonds link the molecules into a supramolecular structure. The amide group of one of the INA ligands is disordered over two orientations, with an occupancy ratio of 0.759 (3):0.241 (3).Öğe Bis(?-2-fluorobenzoato-1:2?2O:O?)(2-fluorobenzoato-1?2O,O?)(2-fluorobenzoato-2?O)dinicotinamide-1?N1,2?N1-dizinc(II)-2-fluorobenzoic acid (1/1)(Int Union Crystallography, 2009) Hokelek, Tuncer; Yilmaz, Filiz; Tercan, Baris; Ozbek, F. Elif; Necefoglu, HacaliThe asymmetric unit of the title compound, [Zn-2(C7H4FO2)(4)(C6H6N2O)(2)]center dot C7H5FO2, consists of a binuclear Zn-II complex bridged by two carboxyl groups of 2-fluorobenzoate (FB) anions and a 2-fluorobenzoic acid molecule. The two bridging FB anions, one chelating FB anion and one nicotinamide (NA) ligand coordinate to one Zn cation with a distorted square-pyramidal geometry, while the two bridging FB anions, one monodentate FB anion and one NA ligand coordinate to the other Zn cation with a distorted tetrahedral geometry. Within the binuclear molecule, the pyridine rings are oriented at a dihedral angle of 19.41 (14)degrees. In the crystal structure, the uncoordinated 2-fluorobenzoic acid molecules are linked by O-H center dot center dot center dot O hydrogen bonding, forming centrosymmetric supramolecular dimers. Intermolecular N-H center dot center dot center dot O hydrogen bonds link the complex molecules into a three-dimensional network. The pi-pi contacts between nearly parallel pyridine and benzene rings [dihedral angles of 19.41 (14) and 12.72 (16)degrees, respectively, centroid-centroid distances = 3.701 (2) and 3.857 (3) angstrom] may further stabilize the crystal structure. The fluorine atoms in two FB ligands are disordered over two positions, with occupancy ratios of 0.70:0.30.Öğe catena-Poly[[(4-formylbenzoato-?O1)(isonicotinamide-?N1)zinc(II)]-?-4-formylbenzoato-?2O1:O1?](Int Union Crystallography, 2009) Hokelek, Tuncer; Yilmaz, Filiz; Tercan, Baris; Sertcelik, Mustafa; Necefoglu, HacaliIn the title compound, [Zn(C8H5O3)(2)(C6H6N2O)](n), the Zn-II ion is tetrahedrally coordinated by two formylbenzoate (FB) and one isonicotinamide (INA) ligands while symmetry-related FB ligands bridge adjacent ZnII ions, forming polymeric chains along the b axis. The carboxylate groups in the two FB ions are twisted away from the attached benzene ring by 9.07 (2) and 26.2 (2)degrees. The two benzene rings of the FB ions are oriented at a dihedral angle of 81.30 (5)degrees. In the crystal, adjacent polymeric chains interact via N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds, pi-pi contacts between the formylbenzoate rings [centroid-centroid distance = 3.7736 (8) angstrom] and weak C-H center dot center dot center dot pi interactions, forming a three-dimensional network.Öğe Diaquabis(2-bromobenzoato-?O)bis(N,N-diethylnicotinamide-?N1)nickel(II)(Int Union Crystallography, 2009) Hokelek, Tuncer; Yilmaz, Filiz; Tercan, Baris; Ozbek, F. Elif; Necefoglu, HacaliIn the monomeric centrosymmetric title Ni-II complex, [Ni(C7H4BrO2)(2)(C10H14N2O)(2)(H2O)(2)], the Ni-II ion is located on an inversion center. The asymmetric unit contains one 2-bromobenzoate ligand, one diethylnicotinamide (DENA) ligand and one coordinated water molecule. The four O atoms in the equatorial plane around the Ni-II ion form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by two N atoms of two DENA ligands in the axial positions. The dihedral angle between the benzene ring and the attached carboxylate group is 87.73 (15)degrees, while the pyridine and benzene rings are oriented at a dihedral angle of 42.48 (7)degrees. In the crystal structure, O-H center dot center dot center dot O hydrogen bonds link the molecules into a two-dimensional network parallel to (10 (1) over bar). In addition, C-H center dot center dot center dot O hydrogen bonds are observed.Öğe Diaquabis(2-bromobenzoato-?O)bis(nicotinamide-?N1)nickel(II)(Int Union Crystallography, 2009) Hokelek, Tuncer; Yilmaz, Filiz; Tercan, Baris; Ozbek, F. Elif; Necefoglu, HacaliThe title Ni-II complex, [Ni(C7H4BrO2)(2)(C6H6N2O)(2)(H2O)(2)], is centrosymmetric. It contains two 2-bromobenzoate (BB) ligands, two nicotinamide (NA) ligands and two water molecules, 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 octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 30.81 (17)degrees, while the pyridine and benzene rings are oriented at a dihedral angle of 84.66 (6)degrees. In the crystal structure, O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds link the molecules into a supramolecular structure. A weak C-H center dot center dot center dot pi interaction is also found.Öğe Tetraaquabis(isonicotinamide-?N1)cobalt(II) bis(4-formylbenzoate) dihydrate(Int Union Crystallography, 2009) Hokelek, Tuncer; Yilmaz, Filiz; Tercan, Baris; Sertcelik, Mustafa; Necefoglu, HacaliThe asymmetric unit of the crystal structure of the title complex, [Co(C6H6N2O)(2)(H2O)(4)](C8H5O3)(2)center dot 2H(2)O, contains one-half of the complex cation with the Co-II ion located on an inversion center, a 4-formylbenzoate (FB) counter-anion and an uncoordinated water molecule. The four O atoms in the equatorial plane around the Co-II ion form a slightly distorted square-planar arrangement with an average Co-O bond length of 2.086 angstrom; the slightly distorted octahedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a slightly longer distance [2.1603 (14) angstrom] in the axial positions. The dihedral angle between the carboxylate group and the attached benzene ring is 5.93 (13)degrees, while the pyridine and benzene rings are oriented at a dihedral angle of 3.09 (6)degrees. In the crystal structure, O-H center dot center dot center dot O, N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds link the molecules into a three-dimensional network. pi-pi Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.758 (1) angstrom] may further stabilize the crystal structure.Öğe Tetraaquabis(isonicotinamide-?N1)nickel(II) bis(4-formylbenzoate) dihydrate(Int Union Crystallography, 2009) Hokelek, Tuncer; Yilmaz, Filiz; Tercan, Baris; Gurgen, Ferdi; Necefoglu, HacaliThe asymmetric unit of the title complex, [Ni(C6H6N2O)(2)(H2O)(4)](C8H5O3)(2)center dot 2H(2)O, contains one-half of the complex cation with the Ni-II atom located on an inversion center, a 4-formylbenzoate (FB) counter-anion and an uncoordinated water molecule. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement and the slightly distorted octahedral 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 carboxylate group and the attached benzene ring is 8.14 (11)degrees, while the pyridine and benzene rings are oriented at a dihedral angle of 3.46 (6)degrees. In the crystal structure, O-H center dot center dot center dot O, N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds link the molecules into a three-dimensional network. pi-pi Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.751 (1) angstrom] may further stabilize the crystal structure.Öğe Tetrakis[?-4-(diethylamino)benzoato-?2O:O?]bis[(N,N-diethylnicotinamide-?N1)zinc(II)](Int Union Crystallography, 2009) Hoekelek, Tuncer; Yilmaz, Filiz; Tercan, Baris; Aybirdi, Oezguer; Necefoglu, HacaliIn the centrosymmetric binuclear title complex, [Zn-2(C11H14NO2)(4)(C10H14N2O)(2)], the two Zn-II ions [Zn center dot center dot center dot Zn = 2.8874 (3) angstrom] are bridged by four 4-(diethylamino)benzoate (DEAB) ligands. The four nearest O atoms around each Zn-II ion form a distorted square-planar arrangement, the distorted square-pyramidal coordination being completed by the pyridine N atom of an N,N-diethylnicotinamide (DENA) ligand at a distance of 2.0484 (12) angstrom. The dihedral angle between the benzene ring and the carboxylate group is 4.89 (6)degrees in one of the independent DEAB ligands and 7.13 (7)degrees in the other. The benzene rings of the two independent DEAB ligands are oriented at a dihedral angle of 86.58 (5)degrees. The pyridine ring is oriented at dihedral angles of 31.17 (4) and 58.38 (4)degrees with respect to the two benzene rings. In the crystal, weak intermolecular C-H center dot center dot center dot O interactions link the molecules into a three-dimensional network. Two weak C-H center dot center dot center dot pi interactions are also present. The two ethyl groups of one of the DEAB ligands are disordered over two orientations, with occupancy ratios of 0.798 (5): 0.202 (5) and 0.890 (5): 0.110 (5).Öğe Tetrakis[?-4-(methylamino)benzoato-?2O:O?]bis[(N,N-diethylnicotinamide-N1)zinc(II)] dihydrate(Int Union Crystallography, 2009) Hokelek, Tuncer; Yilmaz, Filiz; Tercan, Baris; Aybirdi, Oezguer; Necefoglu, HacaliThe title molecule, [Zn-2(C8H8NO2)(4)(C10H14N2O)(2)]center dot 2H(2)O, is a centrosymmetric binuclear complex, with two Zn-II ions [Zn center dot center dot center dot Zn' = 2.9301 (4) angstrom] bridged by four methylaminobenzoate (MAB) ligands. The four nearest O atoms around each Zn-II ion form a distorted square-planar arrangement with the distorted square-pyramidal coordination completed by the pyridine N atom of the N,N-diethylnicotinamide (DENA) ligand. Each Zn-II ion is displaced by 0.3519 (2) angstrom from the plane of the four O atoms, with an average Zn-O distance of 2.030 angstrom. The dihedral angles between carboxylate groups and adjacent benzene rings are 10.57 (10) and 16.63 (12)degrees, while the benzene rings are oriented at a dihedral angle of 81.84 (5)degrees. The pyridine ring is oriented at dihedral angles of 40.49 (6) and 51.25 (6)degrees with respect to the benzene rings. In the crystal structure, intermolecular O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds link the molecules into a three-dimensional network. The pi-pi contact between the inversion-related pyridine rings [centroid-centroid distance = 3.633 (1) angstrom] may further stabilize the crystal structure.