Baris Tercan

Diaquabis(4-formylbenzoato-κO1)bis(nicotinamide-κN1)copper(II)

The asymmetric unit of the title mononuclear CuII complex, [Cu(C7H4BrO2)2(C6H6N2O)2(H2O)2], contains one half-molecule, the CuII atom being located on an inversion center. The unit cell contains two nicotinamide (NA), two 4-bromobenzoate (PBB) ligands and two coordinated water molecules. The four O atoms in the equatorial plane around the CuII ion 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 22.17 (16)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 82.80 (6)°. In the crystal, N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. A weak C—H⋯π interaction is also observed.

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

The asymmetric unit of the title Cd(II) complex, [Cd(C(8)H(5)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, contains two 4-formyl-benzoate (FB), two isonicotinamide (INA) ligands, one coordinated and one uncoordinated water mol-ecule; the FB ions act as bidentate ligands. The coordination number of the Cd(II) atom is seven within a CdO(5)N(2) donor set. Intra-molecular O-H⋯O hydrogen bonds link the uncoordinated water mol-ecules to the carboxyl groups. The dihedral angle between the carboxyl-ate groups and the adjacent benzene rings are 17.53 (13) and 16.55 (14)°. In the crystal structure, inter-molecular O-H⋯O, N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds link the mol-ecules into a supra-molecular 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).

Tetrakis[μ-4-(diethylamino)benzoato-κ2O:O′]bis[(N,N-diethylnicotinamide-κN1)cobalt(II)]

In the centrosymmetric binuclear title complex, [Zn2(C11H14NO2)4(C10H14N2O)2], the two ZnII ions [Zn⋯Zn = 2.8874 (3) Å] are bridged by four 4-(diethylamino)benzoate (DEAB) ligands. The four nearest O atoms around each ZnII 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) Å. The dihedral angle between the benzene ring and the carboxylate group is 4.89 (6)° in one of the independent DEAB ligands and 7.13 (7)° in the other. The benzene rings of the two independent DEAB ligands are oriented at a dihedral angle of 86.58 (5)°. The pyridine ring is oriented at dihedral angles of 31.17 (4) and 58.38 (4)° with respect to the two benzene rings. In the crystal, weak intermolecular C—H⋯O interactions link the molecules into a three-dimensional network. Two weak C—H⋯π 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).

Dimethyl 2,6,8-trimethyl-1,2-dihydroquinoline-2,4-dicarboxylate

The title compound, C16H19NO4, the hydrogenated ring adopts a twisted conformation. In the crystal, intermolecular C—H⋯O hydrogen bonds link the molecules into centrosymmetric R 2 2(10) dimers. These dimers are further connected via intermolecular N—H⋯O hydrogen bonds, forming infinite double chains along [001].

Poly[[diaqua-manganese(II)]-bis-(μ-4-fluoro-benzoato-κO:O')].

In the crystal structure of the title complex, [Mn(C7H4FO2)2(H2O)2]n, the MnII atom is located on an inversion centre. It is coordinated by two water molecules in the apical directions and four 4-fluorobenzoate (PFB) anions, bridging the symmetry related Mn atoms in the basal plane to form an infinite two-dimensional polymeric structure parallel to (100). The four O atoms of the PFB anions around the MnII atom form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two O atoms of the water molecules. The dihedral angle between the carboxylate group and the adjacent benzene ring is 27.29 (16)°. The O—H⋯O hydrogen bonds further connect the manganese-carboxylate units. π–π contacts between the benzene rings [centroid-centroid distance = 3.6894 (15) Å] further stabilize the crystal structure.

Tetraaquabis(isonicotinamide-κN1)cobalt(II) bis(4-formylbenzoate) dihydrate

The asymmetric unit of the title complex, [Ni(C6H6N2O)2(H2O)4](C8H5O3)2·2H2O, contains one-half of the complex cation with the NiII 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)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.46 (6)°. In the crystal structure, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. π–π Contacts between the benzene and pyridine rings [centroid–centroid distance = 3.751 (1) Å] may further stabilize the crystal structure.

Diaquabis(4-methoxybenzoato-κO1)bis(nicotinamide-κN1)cobalt(II) dihydrate

In the mononuclear title compound, [Co(C8H7O3)2(C6H6N2O)2(H2O)2]·2H2O, 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)°, while the pyridine and benzene rings are oriented at a dihedral angle of 72.80 (4)°. 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.

5-(3,6-Dibromo-9H-carbazol-9-yl)penta-nenitrile.

In the title compound, C17H14Br2N2, the carbazole skeleton is nearly planar [maximum deviation = 0.055 (2) Å]. In the crystal, aromatic π–π stacking is observed between parallel carbazole ring systems of adjacent molecules, the shortest centroid–centroid distance between benzene rings being 3.4769 (11) Å.

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.

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.