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Aquabis(4-formylbenzoato-?2O1,O1?)bis(isonicotinamide-?N1)cadmium(II) monohydrate
(Int Union Crystallography, 2009) Hokelek, Tuncer; Yilmaz, Filiz; Tercan, Baris; Gurgen, Ferdi; Necefoglu, Hacali
The 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).
Aquabis(isonicotinamide-?N1)bis(4-methylbenzoato)-?O;?2O,O?-cadmium(II) monohydrate
(Int Union Crystallography, 2010) Necefoglu, Hacali; Cimen, Efdal; Tercan, Baris; Suzen, Yasemin; Hokelek, Tuncer
In the crystal structure of the title compound, [Cd(C8H7O2)(2)(C6H6N2O)(2)(H2O)]center dot H2O, the Cd-II cation is coordinated by two 4-methylbenzoate (PMB) anions, two isonicotinamide (INA) ligands and one water molecule in a distorted octahedral CdN2O4 geometry. One of PMB ions acts as a bidentate ligand while the other and the two INA are monodentate ligands. An O-H center dot center dot center dot O hydrogen bond links the uncoordinated water molecule to the carboxyl groups of the complex. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 10.28 (11) and 21.24 (9)degrees, while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 6.90 (4) and 88.64 (4)degrees, respectively. 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 pi-pi contact between the benzene rings [centroid-centroid distance = 3.911 (1) angstrom] may further stabilize the crystal structure. Weak C-H center dot center dot center dot pi interactions involving the pyridine rings also occur in the crystal structure.
Bis(4-ethylbenzoato-?O)bis(nicotinamide-?N1)zinc(II)
(Int Union Crystallography, 2011) Necefoglu, Hacali; Ozbek, Fureya Elif; Aktas, Vedat; Tercan, Baris; Hokelek, Tuncer
The title Zn II complex, [Zn(C9H9O2)(2)(C6H6N2O)(2)], contains two 4-ethylbenzoate and two nicotinamide monodentate ligands, leading to a distorted tetrahedral coordination of the Zn-II ion. The dihedral angles between the carboxylate groups and the adjacent benzene rings are 10.33 (13) and 2.38 (11)degrees, while opposite pyridine and benzene rings are oriented at dihedral angles of 68.46 (5) and 81.09 (6)degrees. In the crystal, intermolecular N-H center dot center dot center dot O hydrogen bonds link the molecules, forming a three-dimensional network. C-H center dot center dot center dot O interactions also occur as well as two weak C-H center dot center dot center dot pi interactions involving the benzene rings.
Bis(4-fluorobenzoato)-?2O,O?;?O-(4-fluorobenzoic acid-?O)bis(nicotinamide-?N1)copper(II)
(Int Union Crystallography, 2011) Necefoglu, Hacali; Ozbek, Fureya Elif; Ozturk, Vijdan; Tercan, Baris; Hokelek, Tuncer
In the title Cu-II complex, [Cu(C7H4FO2)(2)(C7H5FO2)(C6H6N2O)(2)], the Cu-II cation is coordinated by two N atoms of two nicotinamide (NA) ligands, and by four O atoms from two 4-fluorobenzoate (PFB) anions and one 4-fluorobenzoic acid (PFBA) molecule, in a distorted octahedral geometry. In the molecule, two Cu-O bond lengths are significantly longer than the other two. The dihedral angles between the carboxylate groups and the adjacent benzene rings are 11.08 (14), 7.62 (13) and 5.73 (11)degrees, while the benzene rings are oriented at dihedral angles of 15.62 (6), 33.71 (8) and 26.60 (8)degrees. In the crystal structure, extensive N-H center dot center dot center dot O, C-H center dot center dot center dot F 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 rings [centroid-to-centroid distances = 3.5517 (15), 3.8456 (14) and 3.9265 (13) angstrom] further stabilize the crystal structure.
Bis(4-methoxybenzoato)-?2O,O?;?O-bis(nicotinamide-?N1)zinc(II)
(Wiley-Blackwell, 2010) Hoekelek, Tuncer; Saka, Guener; Tercan, Baris; Tenlik, Erdinc; Necefoglu, Hacali
The asymmetric unit of the title complex, [Zn(C8H7O3)(2)-(C6H6N2O)(2)], contains three crystallographically independent molecules with similar configurations. The Zn-II cation is coordinated by two N atoms of two nicotinamide ligands and three O atoms from two 4-methoxybenzoate anions in a distorted trigonal-bipyramidal geometry. In each independent molecule, one Zn-O bond distance [2.5181 (12), 2.5931 (12) and 2.4085 (12) angstrom for the three molecules] is significantly longer than the other two. In the crystal structure, extensive N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonding links the molecules into a three-dimensional network. pi-pi contacts between the pyridine rings and between the pyridine and benzene rings [centroid-centroid distances = 3.7655 (9) and 3.8453 (10) angstrom, respectively] further stabilize the crystal structure.
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, Hacali
The 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.
Bis(?-4-methylbenzoato)-?3O,O':O;?3O:O,O'-bis[aqua(4-methylbenzoato-?2O,O') (nicotinamide-?N1)cadmium]
(Int Union Crystallography, 2012) Dincel, Oznur; Tercan, Baris; Cimen, Efdal; Necefoglu, Hacali; Hokelek, Tuncer
In the dinuclear centrosymmetric title compound, [Cd-2(C8H7O2)(4)(C6H6N2O)(2)(H2O)(2)], the Cd-II ion is chelated by two carboxylate groups from 4-methylbenzoate anions, and is further coordinated by one nicotinamide and one water molecule; a carboxylate O atom from an adjacent 4-methylbenzoate anion bridges to the Cd-II ion, completing the irregular coordination sphere of the seven ligand atoms. In the crystal, intermolecular O-H center dot center dot center dot O, N-H center dot center dot center dot O and weak C-H center dot center dot center dot O hydrogen bonds link the molecules into a three-dimensional network. The methylbenzene moiety of one bridging 4-methylbenzoate anion is disordered over two orientations of equal occupancy.
Bis(?-4-methylbenzoato-?2O:O?)bis[aqua(4-methylbenzoato-?2O,O?)zinc(II)]-bis(?-4-methylbenzoato-?2O:O?)bis[(4-methylbenzoato-?O)(nicotinamide-?N)zinc(II)]-water (1/1/2)
(Wiley-Blackwell, 2010) Hokelek, Tuncer; Ermis, Emel; Tercan, Baris; Cimen, Efdal; Necefoglu, Hacali
[No abstract available]
Bis(isonicotinamide-?N1)bis[4-(methylamino)benzoato]zinc(II) monohydrate
(Int Union Crystallography, 2009) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Aybirdi, Ozgur; Necefoglu, Hacali
In the title Zn-II complex, [Zn(C8H8NO2)(2)(C6H6N2O)(2)]center dot H2O, the Zn atom is coordinated by two 4-methylaminobenzoate (MAB) and two isonicotinamide (INA) ligands in a distorted trigonal-bipyramidal geometry; one of the MAB ions acts as a bidentate ligand while the other MAB and the two INA are monodentate ligands. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 8.52 (22) and 5.10 (14)degrees. In the crystal, intermolecular O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonding links the molecules into a supramolecular structure. Weak intermolecular C-H center dot center dot center dot O interactions are also present.
Bis[4-(methylamino)benzoato-?O]bis(nicotinamide-?N)zinc(II)
(Int Union Crystallography, 2009) Tercan, Baris; Hoekelek, Tuncer; Aybirdi, Oezguer; Necefoglu, Hacali
The title zinc complex, [Zn(C8H8NO2)(2)(C6H6N2O)(2)], is composed of two monodentate 4-(methylamino) benzoate and two monodentate nicotinamide ligands. The coordination around the Zn atom is distorted tetrahedral. The dihedral angles between the two benzene rings and the two pyridine rings are 78.30 (6) and 68.86 (5)degrees. In the crystal structure, intermolecular N-H center dot center dot center dot O hydrogen bonds link the molecules into an infinite three-dimensional network.
Bis[?-4-(dimethylamino)benzoato]-?3O,O?:O;?3O:O,O?-bis{aqua[4-(dimethylamino)benzoato-?2O,O?](nicotinamide-?N1)cadmium(II)}
(Wiley-Blackwell, 2010) Hokelek, Tuncer; Suzen, Yasemin; Tercan, Baris; Aybirdi, Oezguer; Necefoglu, Hacali
[No abstract available]
Bis[?-4-(methylamino)benzoato]-?3O,O?:O;?3O:O,O?-bis{aqua[4-(methylamino)benzoato-?2O,O?](nicotinamide-?N)cadmium(II)}
(Wiley-Blackwell, 2010) Hokelek, Tuncer; Saglam, Ertugrul Gazi; Tercan, Baris; Aybirdi, Ozgur; Necefoglu, Hacali
In the dinuclear centrosymmetric Cd-II compound, [Cd-2(C8H8NO2)(4)(C6H6N2O)(2)(H2O)(2)], the metal atom is chelated by two carboxylate groups from 4-(methylamino)benzoate (PMAB) anions, and coordinated by one nicotinamide and one water molecule; a carboxylate O atom from the adjacent PMAB anion bridges to the Cd atom, completing the irregular seven-coordination geometry. In the crystal, intermolecular 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 pyridine rings [centroid-centroid distance = 3.965 (1) angstrom] may further stabilize the structure. A weak C-H center dot center dot center dot pi interaction also occurs.
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, Hacali
In 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.
catena-Poly[[(4-methylbenzoato-?O)manganese(II)]-?-aqua-bis(?-4-methylbenzoato-?2O:O?)[(4-methylbenzoato-?O)manganese(II)]-bis(?-N,N-diethylnicotinamide)-?2N3:O;O:N3]
(Wiley-Blackwell, 2010) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Cimen, Efdal; Necefoglu, Hacali
[No abstract available]
catena-Poly[[[bis(4-ethylbenzoato-?2O,O')lead(II)]-?-nicotinamide-?2N1:O] monohydrate]
(Int Union Crystallography, 2011) Hokelek, Tuncer; Tercan, Baris; Sahin, Ertan; Aktas, Vedat; Necefoglu, Hacali
In the crystal structure of the polymeric title compound, {[Pb(C9H9O2)(2)(C6H6N2O)]center dot H2O}(n), the six-coordinate Pb-II ion is chelated by two 4-ethylbenzoate (PEB) anions and is bridged by two nicotinamide (NA) ligands, forming a polymeric chain running along the b axis. The carboxylate groups of the PEB ions are twisted away from the attached benzene rings by 4.0 (6) and 13.3 (5)degrees. The two benzene rings of the PEB ions bonded to the same metal ion are oriented at a dihedral angle of 87.4 (3) . In the polymeric chain, the N-A ligand is linked to one of the carboxylate groups via N-H center dot center dot center dot O hydrogen bonding. In the crystal, adjacent polymeric chains interact via N-H center dot center dot center dot O and weak C-H center dot center dot center dot O hydrogen bonds; and the lattice water molecule links with the polymeric chains via N-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonding. pi-pi stacking between the benzene and the pyridine rings [centroid-centroid distance = 3.805 (5) angstrom] and weak C-H center dot center dot center dot center dot pi interactions are also observed in the crystal structure.
catena-Poly[[[diaquabis[4-(diethylamino)benzoato-?O]manganese(II)]-?-aqua] dihydrate]
(Int Union Crystallography, 2009) Hoekelek, Tuncer; Dal, Hakan; Tercan, Baris; Aybirdi, Oezguer; Necefoglu, Hacali
In the crystal structure of the title complex, {[Mn(C11H14NO2)(2)(H2O)(3)]center dot 2H(2)O}(n), the two independent Mn-II atoms are located on a centre of symmetry and coordinated by two 4-(diethylamino) benzoate (DEAB) anions and two water molecules in the basal plane while another water molecule bridges the Mn atoms in the apical directions, forming polymeric chains. The dihedral angles between the carboxylate groups and the adjacent benzene rings are 11.33 (13) and 10.90 (9)degrees and the benzene rings are oriented at a dihedral angle of 67.88 (6)degrees. The uncoordinated water molecules link the carboxylate groups and coordinated water molecules via O-H center dot center dot center dot O hydrogen bonding. Weak C-H center dot center dot center dot pi interactions are also found in the crystal structure.
Di-?-nicotinamide-?2O:N1;?2N1:O-bis[aquabis(4-methoxybenzoato-?O)copper(II)]
(Wiley-Blackwell, 2010) Hokelek, Tuncer; Suzen, Yasemin; Tercan, Baris; Tenlik, Erdinc; Necefoglu, Hacali
[No abstract available]
Diaqua(isonicotinamide-?N1)(4-methoxybenzoato-?2O,O?)(4-methoxybenzoato-?O)cobalt(II)
(Int Union Crystallography, 2010) Hokelek, Tuncer; Suzen, Yasemin; Tercan, Baris; Tenlik, Erdinc; Necefoglu, Hacali
[No abstract available]
Diaquabis(2-bromobenzoato-?O)bis(N,N-diethylnicotinamide-?N1)cobalt(II)
(Int Union Crystallography, 2010) Hokelek, Tuncer; Saka, Guener; Tercan, Baris; Ozturkkan, Fuereya Elif; Necefoglu, Hacali
In the mononuclear title compound, [Co(C7H4BrO2)(2)(C10H14N2O)(2)(H2O)2], the Co-II ion is located on a crystallographic inversion center. The asymmetric unit is completed by one 2-bromobenzoate anion, one diethylnicotinamide (DENA) ligand and one coordinated water molecule; all ligands are monodentate. The four O atoms in the equatorial plane around Co-II form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of the DENA ligands in axial positions. The dihedral angle between the carboxylate group and the attached benzene ring is 84.7 (1)degrees; the pyridine and benzene rings are oriented at a dihedral angle of 43.64 (6)degrees. In the crystal structure, intermolecular O-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.
Diaquabis(2-bromobenzoato-?O)bis(N,N-diethylnicotinamide-?N1)manganese(II)
(Int Union Crystallography, 2009) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Ozbek, F. Elif; Necefoglu, Hacali
The title Mn-II complex, [Mn(C7H4BrO2)(2)(C10H14N2O)(2)(H2O)(2)], is centrosymmetric. The molecule contains two 2-bromobenzoate (BB) and two diethylnicotinamide (DENA) ligands and two water molecules, 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 octahedral 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)degrees, while the pyridine and benzene rings are oriented at a dihedral angle of 45.66 (6)degrees. In the crystal structure, intermolecular O-H center dot center dot center dot O hydrogen bonds link the molecules into infinite chains.

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