Efdal Çimen

Tetra­kis(μ-4-methyl­benzoato-κ2O:O′)bis­[(isonicotinamide-κN)copper(II)]

In the title centrosymmetric binuclear complex, [Cu2(C8H7O2)4(C6H6N2O)2], the Cu atoms [Cu⋯Cu = 2.6375 (6) Å] are bridged by four 4-methylbenzoate (PMB) ligands. The four nearest O atoms around each CuII ion form a distorted square-planar arrangement, and the distorted square-pyramidal coordination is completed by the pyridine N atom of the isonicotinamide (INA) ligand. Each CuII ion is displaced by 0.2633 (1) Å from the plane of the four O atoms, with an average Cu—O distance of 1.974 (2) Å. The dihedral angles between carboxylate groups and the adjacent benzene rings are 7.88 (19) and 9.68 (10)°, while the benzene rings are oriented at a dihedral angle of 85.90 (9)°. The pyridine ring is oriented at dihedral angles of 8.59 (7) and 83.89 (9)° with respect to the benzene rings. In the crystal structure, intermolecular N—H⋯O hydrogen bonds link the molecules into a three-dimensional network. π–π contacts between the benzene rings and between the pyridine and benzene rings, [centroid–centroid distances = 3.563 (2) and 3.484 (2) Å, respectively] may further stabilize the crystal structure.

catena-Poly[[bis-(4-methyl-benzoato-κO:O')lead(II)]-μ-nicotinamide-κN:O].

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)°. The two benzene rings of the PMB ions are oriented at a dihedral angle of 83.7 (1)°. 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.

catena-Poly[[(4-methyl­benzoato-κO)manganese(II)]-μ-aqua-bis­(μ-4-methyl­benzoato-κ2O:O′)[(4-methyl­benzoato-κO)manganese(II)]-bis­(μ-N,N-diethyl­nicotinamide)-κ2N3:O;O:N3]

The asymmetric unit of the title complex, [Mn2(C8H7O2)4(C10H14N2O)2(H2O)]n, contains two crystallographically independent units. In each one, the MnII ions are bridged by two 4-methylbenzoate (PMB) ligands and one water molecule. In the crystal structure, each MnII ion is coordinated by three PMB ligands, one water molecule and two symmetry-related N,N-diethylnicotinamide (DENA) ligands. Symmetry-related MnII ions are bridged by the N and O atoms of symmetry-related DENA ligands, forming polymeric chains parallel to [100]. The coordination environmnts for the MnII ions are slightly distorted octahedral. Intramolecular O—H⋯O hydrogen bonds link bridging water molecules to the carboxylate O atoms of a neighboring polymeric chain. In the crystal structure, π–π contacts between benzene rings [centroid–centroid distance = 3.562 (1) Å] and weak C—H⋯π interactions are also observed.

Bis(μ-4-methyl­benzoato-κ2O:O′)bis­[aqua­(4-methyl­benzoato-κ2O,O′)zinc(II)]–bis­(μ-4-methyl­benzoato-κ2O:O′)bis­[(4-methyl­benzoato-κO)(nicotinamide-κN)zinc(II)]–water (1/1/2)

The crystal structure of the title compound, [Zn2(C8H7O2)4(H2O)2]·[Zn2(C8H7O2)4(C6H6N2O)2]·2H2O, consists of two kinds of dinuclear ZnII complexes (complex A and complex B) and uncoordinated water molecules. In complex A, [Zn2(C8H7O2)4(H2O)2], each Zn cation is chelated by a 4-methylbenzoate (PMB) anion and coordinated by a water molecule, and is further bridged by two PMB anions in a trigonal-bipyramidal geometry. In complex B, [Zn2(C8H7O2)4(C6H6N2O)2], each ZnII cation is coordinated by a monodentate PMB anion and one nicotinamide (NA) ligand, and is further bridged by two PMB anions in a tetrahedral geometry. Weak intra-molecular π–π 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%.

Aqua­bis(isonicotinamide-κN 1)bis­(4-methyl­benzoato)-κO;κ2 O,O′-cadmium(II) monohydrate

In the crystal structure of the title compound, [Cd(C8H7O2)2(C6H6N2O)2(H2O)]·H2O, the CdII 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⋯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)°, while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 6.90 (4) and 88.64 (4)°, respectively. In the crystal structure, O—H⋯O and N—H⋯O hydrogen bonds link the molecules into a supramolecular structure. A π–π contact between the benzene rings [centroid–centroid distance = 3.911 (1) Å] may further stabilize the crystal structure. Weak C—H⋯π interactions involving the pyridine rings also occur in the crystal structure.

Bis(isonicotinamide-κN 1)bis­(4-methyl­benzoato-κO)copper(II) dihydrate

In the centrosymmetric title compound, [Cu(C8H7O2)2(C6H6N2O)2]·2H2O, the CuII ion is located on a crystallographic inversion center. The asymmetric unit is completed by one 4-methylbenzoate anion, one isonicotinamide (INA) ligand and one uncoordinated water molecule; all the ligands are monodentate. The two O and the two N atoms around the CuII ion form a slightly distorted square-planar arrangement. The dihedral angle between the carboxylate group and the attached benzene ring is 13.86 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 86.08 (5)°. The uncoordinated water molecules are linked to the INA ligands by O—H⋯O hydrogen bonds. 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.

Tetrakis(μ-4-methylbenzoato-κ2O:O′)bis[(N,N-diethylnicotinamide-κN1)zinc(II)]

In the centrosymmetric binuclear title complex, [Zn2(C8H7O2)4(C10H14N2O)2], the Zn atoms [Zn⋯Zn′ = 2.9494 (3) Å] are bridged by four 4-methylbenzoate (PMB) anions. The four nearest O atoms around each ZnII ion form a distorted square-planar arrangement, the octahedral coordination being completed by the pyridine N atom of the N,N-diethylnicotinamide (DENA) ligand. Each ZnII ion is displaced by 0.3530 (1) Å from the plane of the four O atoms. The dihedral angles between carboxylate groups and their adjacent benzene rings are 5.88 (10) and 11.89 (9)°, while the benzene rings are oriented at a dihedral angle of 75.19 (4)°. The pyridine ring is oriented at dihedral angles of 38.28 (4) and 49.17 (4)° with respect to the benzene rings. In the crystal structure, weak intermolecular C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. π–π contacts between parallel benzene rings [centroid–centroid distance = 3.8388 (8) Å] and between parallel pyridine rings [centroid–centroid distance = 3.4855 (7) Å] may further stabilize the crystal structure.

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

In the dinuclear centrosymmetric title compound, [Cd2(C8H7O2)4(C6H6N2O)2(H2O)2], the CdII 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 CdII ion, completing the irregular coordination sphere of the seven ligand atoms. In the crystal, intermolecular O—H⋯O, N—H⋯O and weak C—H⋯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(μ-4-methyl­benzoato)-κ3O,O′:O;κ3O:O,O′-bis­[aqua­(4-methyl­benzoato-κ2O,O′)(nicotinamide-κN1)cadmium]

In the dinuclear centrosymmetric title compound, [Cd2(C8H7O2)4(C6H6N2O)2(H2O)2], the CdII 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 CdII ion, completing the irregular coordination sphere of the seven ligand atoms. In the crystal, intermolecular O—H⋯O, N—H⋯O and weak C—H⋯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(μ-4-methylbenzoato)-κ3O,O′:O;κ3O:O,O′-bis[aqua(4-methylbenzoato-κ2O,O′)(nicotinamide-κN1)cadmium]

In the dinuclear centrosymmetric title compound, [Cd2(C8H7O2)4(C6H6N2O)2(H2O)2], the CdII 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 CdII ion, completing the irregular coordination sphere of the seven ligand atoms. In the crystal, intermolecular O—H⋯O, N—H⋯O and weak C—H⋯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.