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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.
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[[[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.
catena-Poly[[bis(4-methylbenzoato-?2 O:O')lead(II)]-?-nicotinamide-?2 N 1:O]
(Int Union Crystallography, 2010) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Cimen, Efdal; Necefolu, Hacali
In the title compound, [Pb(C8H7O2)(2)(C6H6N2O)] (n) , the PbII ion is coordinated by two 4-methylbenzoate (PMB) and one nicotinamide (NA) ligands while symmetry-related NA ligands bridge adjacent PbII ions, forming polymeric chains along the c axis. The carboxylate groups in the two PMB ions are twisted away from the attached benzene ring by 22.9 (2) and 4.6 (2)degrees. The two benzene rings of the PMB ions are oriented at a dihedral angle of 83.7 (1)degrees. In a polymeric chain, the NA ligands are linked to PMB ions through intramolecular N-H...O hydrogen bonds. In the crystal structure, adjacent polymeric chains interact via N-H...O and C-H...O hydrogen bonds, forming a two-dimensional network parallel to the bc plane.
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.
Diaquabis(2-bromobenzoato-?O)bis(N,N-diethylnicotinamide-?N1)zinc(II)
(Int Union Crystallography, 2009) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Ozbek, F. Elif; Necefoglu, Hacali
In the centrosymmetric title complex, [Zn(C7H4BrO2)(2)(-)(C10H14N2O)(2)(H2O)(2)], the Zn-II atom is located on an inversion center. The asymmetric unit contains one 2- bromobenzoate (BB), one diethylnicotinamide (DENA) ligand and one coordinating water molecule. The four O atoms in the equatorial plane around the Zn atom form a slightly distorted square-planar arrangement, while the slightly 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 85.51 (12)degrees, while the pyridine and benzene rings are oriented at a dihedral angle of 44.07 (6)degrees. In the crystal structure, O-H center dot center dot center dot O hydrogen bonds link the molecules into infinite chains.
Diaquabis(2-bromobenzoato-?O)bis(nicotinamide-?N1)zinc(II)
(Int Union Crystallography, 2009) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Ozbek, F. Elif; Necefoglu, Hacali
The title Zn-II complex, [Zn(C7H4BrO2)(2)(C6H6N2O)(2)(H2O)(2)], is centrosymmetric with the Zn atom on an inversion center. The molecule contains two 2-bromobenzoate (BB) and two nicotinamide (NA) ligands and two coordinated water molecules, 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 octahedral 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)degrees, while the pyridine and benzene rings are oriented at a dihedral angle of 83.54 (5)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 infinite chains. A weak C-H center dot center dot center dot pi interaction is also present.
Diaquabis(2-chlorobenzoato-?O)bis(N,N-diethylnicotinamide-?N1)nickel(II)
(Int Union Crystallography, 2009) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Ozbek, F. Elif; Necefoglu, Hacali
In the monomeric and centrosymmetric title Ni-II complex, [Ni(C7H4ClO2)(2)(C10H14N2O)(2)(H2O)(2)], the Ni-II ion is located on an inversion center. The asymmetric unit contains one 2-chlorobenzoate ligand, one diethylnicotinamide (DENA) ligand and one coordinating water molecule, the ligands being monodentate. 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 the DENA ligands in axial positions. The dihedral angle between the benzene ring and the attached carboxylate group is 87.36 (10)degrees, while the pyridine and benzene rings are oriented at an angle of 41.90 (5)degrees. In the crystal structure, intermolecular 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).
Diaquabis(2-chlorobenzoato-?O)bis(nicotinamide-?N1)nickel(II)
(Int Union Crystallography, 2009) Hoekelek, Tuncer; Dal, Hakan; Tercan, Baris; Oezbek, F. Elif; Necefoglu, Hacali
The title Ni-II complex, [Ni(C7H4ClO2)(2)(C6H6N2O)(2)(H2O)(2)], is centrosymmetric with the Ni atom located on an inversion centre. The molecule contains two 2-chlorobenzoate (CB) and two nicotinamide (NA) ligands and two water molecules, 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 octahedral 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 29.48 (16)degrees, while the pyridine and benzene rings are oriented at a dihedral angle of 83.16 (5)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 infinite chains. pi-pi Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.952 (1) angstrom] may further stabilize the crystal structure. There is also a C-H center dot center dot center dot pi interaction.
Diaquabis(4-methoxybenzoato-?O 1)bis(nicotinamide-?N 1)cobalt(II) dihydrate
(Int Union Crystallography, 2010) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Tenlik, Erdinc; Necefoglu, Hacali
In the mononuclear title compound, [Co(C8H7O3)(2)(C6H6N2O)(2)(H2O)(2)]center dot 2H(2)O, the CoII ion is located on a crystallographic inversion center. The asymmetric unit is completed by one 4-methoxybenzoate anion, one nicotinamide (NA) ligand and one coordinated and one uncoordinated water molecule. All ligands act in a monodentate mode. The four O atoms in the equatorial plane around the CoII ion form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the attached benzene ring is 6.47 (7)degrees, while the pyridine and benzene rings are oriented at a dihedral angle of 72.80 (4)degrees. An O-H...O hydrogen bond links the uncoordinated water molecule to one of the carboxylate groups. In the crystal structure, intermolecular O-H...O, N-H...O and C-H...O hydrogen bonds link the molecules into a three-dimensional network.
Diaquabis(4-methoxybenzoato-?O)bis(nicotinamide-?N 1)nickel(II) dihydrate
(Int Union Crystallography, 2010) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Tenlik, Erdinc; Necefoglu, Hacali
In the mononuclear title compound, [Ni(C8H7O3)(2)(C6H6N2O)(2)(H2O)(2)]center dot 2H(2)O, the NiII ion is located on a crystallographic inversion center. The asymmetric unit further contains one 4-methoxybenzoate anion, one nicotinamide (NA) ligand and one coordinated and one uncoordinated water molecule; all ligands are monodentate. The four O atoms in the equatorial plane around the NiII ion form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the attached benzene ring is 7.2 (1)degrees, while the pyridine and benzene rings are oriented at a dihedral angle of 72.80 (4)degrees. An intramolecular O-H...O hydrogen bond links the uncoordinated water molecule to one of the carboxylate groups. In the crystal structure, intermolecular O-H...O, N-H...O and C-H...O hydrogen bonds link the molecules into a three-dimensional network.
Diaquabis(4-methylaminobenzoato-?O)bis(nicotinamide-?N1)nickel(II)
(Int Union Crystallography, 2009) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Aybirdi, Oezguer; Necefoglu, Hacali
The title Ni-II complex, [Ni(C8H8NO2)(2)(C6H6N2O)(2)(H2O)(2)], is centrosymmetric with the Ni atom on an inversion center. The molecule contains two 4-methylaminobenzoate (MAB) and two nicotinamide (NA) ligands and two coordinated water molecules, 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 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 2.09 (14)degrees, while the pyridine and benzene rings are oriented at a dihedral angle of 66.15 (4)degrees. 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.
Diaquabis(4-methylbenzoato-?O)bis(nicotinamide-?N1)manganese(II)
(Int Union Crystallography, 2010) Necefoglu, Hacali; Cimen, Efdal; Tercan, Baris; Dal, Hakan; Hokelek, Tuncer
In the mononuclear title complex, [Mn(C8H7O2)(2)(C6H6N2O)(2)-(H2O)(2)], the Mn-II ion is located on a crystallographic inversion center. The asymmetric unit contains one 4-methylbenzoate anion, one nicotinamide (NA) ligand and one coordinated water molecule. The four O atoms in the equatorial plane around the Mn-II ion form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the attached benzene ring is 9.01 (7)degrees, while the pyridine and benzene rings are oriented at a dihedral angle of 42.44 (5)degrees. In the crystal structure, 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, and O-H center dot center dot center dot pi and C-H center dot center dot center dot pi interactions link the molecules into a two-dimensional network parallel to (001).
Diaquabis(N,N-diethylnicotinamide-?N1)bis[4-(dimethylamino)benzoato-?O]cobalt(II)
(Int Union Crystallography, 2009) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Aybirdi, Oezguer; Necefoglu, Hacali
The title Co-II complex, [Co(C9H10NO2)(2)(C10H14N2O)(2)-(H2O)(2)], is centrosymmetric. It contains two dimethylaminobenzoate (DMAB) and two diethylnicotinamide (DENA) ligands and two water molecules, all of them being monodentate. The four O atoms in the equatorial plane around the Co atom form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of DENA ligands with the Co-N distance of 2.1519 (11) angstrom in the axial positions. The Co atom is displaced out of the least-squares plane of the carboxylate group by -0.781 (1) angstrom. The dihedral angle between the carboxylate group and the adjacent benzene ring is 5.05 (7)degrees, while the pyridine and benzene rings are oriented at a dihedral angle of 71.48 (5)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. Two weak C-H center dot center dot center dot pi interactions are also present.
Diaquabis[4-(dimethylamino)benzoato-?O](isonicotinamide-?N1)manganese(II)
(Int Union Crystallography, 2009) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Aybirdi, Oezguer; Necefoglu, Hacali
The title Mn-II complex, [Mn(C9H10NO2) (2)(C6H6N2O)(H2O)(2)], contains two 4-(dimethylamino) benzoate (DMAB) anions, one isonicotinamide (INA) ligand and two coordinated water molecules. One of the DMAB anions acts as a bidentate ligand, while the other is monodentate. The four O atoms in the equatorial plane around the Mn atom form a highly distorted square-planar arrangement, while the distorted octahedral coordination geometry is completed by the N atom of the INA ligand and the O atom of the second water molecule in the axial positions. In the crystal structure, strong intermolecular O-H center dot center dot center dot O, O-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds link the molecules into a two-dimensional network parallel to (010). Two weak C-H center dot center dot center dot pi interactions are also found.
Diaquabis[4-(dimethylamino)benzoato](isonicotinamide)zinc(II)
(Int Union Crystallography, 2009) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Aybirdi, Ozgur; Necefoglu, Hacali
The molecule of the title Zn-II complex, [Zn(C9H10NO2)(2)( C6H6N2O)(H2O)(2)], contains two 4-(dimethylamino)benzoate (DMAB) ligands, one isonicotinamide (INA) ligand and two water molecules; one of the DMAB ions acts as a bidentate ligand while the other and INA are monodentate ligands. The four O atoms in the equatorial plane around the Zn atom form a distorted square-planar arrangement, while the distorted octahedral coordination is completed by the N atom of the INA ligand and the O atom of the water molecule in the axial positions. Intramolecular C-H center dot center dot center dot O hydrogen bonding results in the formation of a six-membered ring adopting an envelope conformation. The dihedral angle between the carboxyl groups and the adjacent benzene rings are 4.87 (16) and 2.2 (2)degrees, while the two benzene rings are oriented at a dihedral angle of 65.13 (8)degrees. The dihedral angle between the benzene and pyridine rings are 11.47 (7) and 74.83 (8)degrees, respectively. In the crystal structure, intermolecular O-H center dot center dot center dot O, O-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds link the molecules into a supramolecular structure. pi-pi contacts between the pyridine and benzene rings and between the benzene rings [centroid-centroid distances = 3.695 (1) and 3.841 (1) angstrom, respectively] further stabilize the structure. Weak intermolecular C-H center dot center dot center dot pi interactions are also present.
Diaquabis[4-(dimethylamino)benzoato]-?2O,O?;?O-(isonicotinamide-?N1)cobalt(II)
(Int Union Crystallography, 2009) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Aybirdi, Oezguer; Necefoglu, Hacali
The title Co-II complex, [Co(C9H10NO2)(2)(C6H6N2O)(H2O)(2)], contains two 4-dimethylaminobenzoate (DMAB) anions, one isonicotinamide (INA) ligand and two coordinated water molecules. One of the DMAB anions acts as a bidentate ligand, while the other is monodentate. The four O atoms in the equatorial plane around the Co atom form a highly distorted square-planar arrangement, while the distorted octahedral coordination geometry is completed by the N atom of the INA ligand and the O atom of the second water molecule in the axial positions. An intramolecular O-H center dot center dot center dot O hydrogen bond between the monodentate-coordinated carboxyl group and a coordinated water molecule results in a six-membered ring with an envelope conformation. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 4.29 (10)degrees for the monodentate ligand and 2.31 (13)degrees for the bidentate ligand, while the two benzene rings are oriented at a dihedral angle of 65.02 (5)degrees. The dihedral angles between the pyridine and benzene rings are 11.21 (5)degrees for the monodentate ligand and 74.60 (5)degrees for the bidentate ligand. In the crystal structure, intermolecular O-H center dot center dot center dot O, O-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds link the molecules into a supramolecular structure.
Ethyl 1-oxo-1,2,3,4-tetrahydro-9H-carbazole-3-carboxylate
(Int Union Crystallography, 2009) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Gocmenturk, Mustafa; Ergun, Yavuz
The title compound, C15H15NO3, contains a carbazole skeleton with an ethoxycarbonyl group at the 3 position. In the indole ring system, the benzene and pyrrole rings are nearly coplanar, forming a dihedral angle of 1.95 (8)degrees. The cyclohexenone ring has an envelope conformation. In the crystal structure, pairs of strong N-H center dot center dot center dot O hydrogen bonds link the molecules into centrosymmetric dimers with R-2(2)(10) ring motifs. pi-pi contacts between parallel pyrrole rings [centroid-centroid distance = 3.776 (2)angstrom] may further stabilize the structure. A weak C-H center dot center dot center dot O interaction is also observed.
Ethyl 4-hydroxy-9-tosyl-9H-carbazole-3-carboxylate
(Int Union Crystallography, 2009) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Gulle, Sibel; Ergun, Yavuz
In the title compound, C22H19NO5S, the carbazole skeleton is nearly planar [maximum deviation = 0.043 (1) angstrom] with the pyrrole ring oriented at dihedral angles of 2.32 (6) and 1.77 (6)degrees with respect to the adjacent benzene rings. The dihedral angle between the benzene ring of the tosyl group and the carbazole skeleton is 82.25 (5)degrees. Intramolecular O-H center dot center dot center dot O hydrogen bonding results in the formation of a planar six-membered ring, which is oriented at a dihedral angle of 3.06 (4)degrees with respect to the adjacent carbazole skeleton. In the crystal structure, weak intermolecular C-H center dot center dot center dot O interactions link the molecules into infinite chains and pi-pi contacts between the benzene rings and between the pyrrole and benzene rings [centroid-centroid distances = 3.374 (1) and 3.730 (1) A, respectively] may further stabilize the structure. A weak C-H center dot center dot center dot pi interaction is also present.
Tetraaquabis(nicotinamide-?N1)nickel(II) bis(2-fluorobenzoate)
(Int Union Crystallography, 2009) Hokelek, Tuncer; Dal, Hakan; Tercan, Baris; Ozbek, F. Elif; Necefoglu, Hacali
The asymmetric unit of the title complex, [Ni(C6H6N2O)(2)(H2O)(4)](C7H4FO2)(2), contains one-half of the complex cation with the Ni-II atom located on an inversion center, and a 2-fluorobenzoate (FB) counter-anion. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement with an average Ni-O bond length of 2.079 angstrom, and the slightly distorted octahedral coordination is completed by the two N atoms of the nicotinamide (NA) ligands in the axial positions. The dihedral angle between the carboxyl group and the attached benzene ring is 28.28 (11)degrees, while the pyridine and benzene rings are oriented at a dihedral angle of 8.31 (4)degrees. In the crystal structure, O-H center dot center dot center dot O, N-H center dot center dot center dot O, C-H center dot center dot center dot O, and C-H center dot center dot center dot F hydrogen bonds link the molecules into a three-dimensional network. pi-pi Contacts between the pyridine and benzene rings [centroid-centroid distance = 3.626 (1) angstrom] may further stabilize the crystal structure. The 2-fluorobenzoate anion is disordered over two orientations, with an occupancy ratio of 0.85:0.15.

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