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In the title complex, [Co(C7H4ClO2)2(C6H6N2O)2(H2O)2], the CoII atom is located on an inversion center and is coordinated by two 3-chlorobenzoate (CB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane 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 9.14 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 82.18 (8)°. In the crystal, N—H
O and O—HO hydrogen bonds link the molecules into a two-dimensional network lying parallel to (101). π–π stacking between parallel pyridine rings of adjacent molecules [centroid–centroid distance = 3.7765 (8) Å] further stabilizes the crystal structure.
O and O—HO hydrogen bonds link the molecules into a two-dimensional network lying parallel to (101). π–π stacking between parallel pyridine rings of adjacent molecules [centroid–centroid distance = 3.7765 (8) Å] further stabilizes the crystal structure.metal-organic compoundsOpen access
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The molecule of the title CuII complex, [Cu(C7H4ClO2)2(C6H6N2O)2], contains two 3-chlorobenzoate (CB) and two nicotinamide (NA) ligands; the CB act as bidentate ligands, while the NA are monodentate ligands. The resulting CuN2O4 coordination polyhedron is a considerably distorted octahedron. The dihedral angles between the carboxylate groups and the adjacent benzene rings are 17.92 (12) and 24.69 (16)°, while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 52.20 (8) and 1.56 (6)°. In the crystal, N—HN and C—HO hydrogen bonds link the molecules into a three–dimensional network. The π–π contact between the benzene rings [centroid–centroid distance = 3.982 (2) Å] may further stabilize the crystal structure.
N and C—HO hydrogen bonds link the molecules into a three–dimensional network. The π–π contact between the benzene rings [centroid–centroid distance = 3.982 (2) Å] may further stabilize the crystal structure.metal-organic compoundsOpen access
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In the polymeric title compound, [Zn(C7H4ClO2)2(H2O)]n, the ZnII cation is located on a twofold rotation axis and is coordinated by carboxylate O atoms of four monodentate chlorobenzoate anions and by one water molecule, located on a twofold rotation axis, in a distorted square-pyramidal geometry. In the anion, the carboxylate group is twisted away from the attached benzene ring by 44.16 (11)°. The chlorobenzoate anion bridges ZnII cations, forming polymeric chains running along the c-axis direction. O—HO hydrogen bonds between coordinating water molecules and carboxylate groups link adjacent chains into layers parallel to the bc plane.
O hydrogen bonds between coordinating water molecules and carboxylate groups link adjacent chains into layers parallel to the bc plane.metal-organic compoundsOpen access
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In the centrosymmetric dinuclear title compound, [Cd2(C7H4ClO2)4(C6H6N2O)2(H2O)2], the CdII atom is coordinated by one N atom from one bridging nicotinamide ligand and one O atom from another symmetry-related bridging nicotinamide ligand, four O atoms from two 3-chlorobenzoate ligands and one water molecule in an irregular geometry. The dihedral angles between the carboxylate groups and the adjacent benzene rings are 6.98 (12) and 2.42 (13)°, while the benzene rings are oriented at a dihedral angle of 4.33 (6)°. Intermolecular O—HO, N—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional network. π–π interactions, indicated by short centroid–centroid distances [3.892 (1) Å between the pyridine rings and 3.683 (1) Å between the benzene rings] further stabilize the structure.
O, N—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional network. π–π interactions, indicated by short centroid–centroid distances [3.892 (1) Å between the pyridine rings and 3.683 (1) Å between the benzene rings] further stabilize the structure.metal-organic compoundsOpen access
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In the title centrosymmetric binuclear CuII complex, [Cu2(C7H4ClO2)4(C10H14N2O)2], the two CuII cations [CuCu = 2.6314 (4) Å] are bridged by four 3-chlorobenzoate (CB) anions. The four carboxylate O atoms around each CuII cation form a distorted square-planar arrangement, the distorted square-pyramidal coordination geometry being completed by the pyridine N atom of the N,N-diethylnicotinamide (DENA) molecule. The dihedral angle between the benzene ring and the carboxylate group is 4.49 (11)° in one of the independent CB ligands and 12.00 (10)° in the other. The benzene rings of the independent CB ligands are oriented at a dihedral angle of 84.13 (6)°. In the crystal, weak C—HO hydrogen bonds link the binuclear complex molecules into supramolecular chains running along [101].
Cu = 2.6314 (4) Å] are bridged by four 3-chlorobenzoate (CB) anions. The four carboxylate O atoms around each CuII cation form a distorted square-planar arrangement, the distorted square-pyramidal coordination geometry being completed by the pyridine N atom of the N,N-diethylnicotinamide (DENA) molecule. The dihedral angle between the benzene ring and the carboxylate group is 4.49 (11)° in one of the independent CB ligands and 12.00 (10)° in the other. The benzene rings of the independent CB ligands are oriented at a dihedral angle of 84.13 (6)°. In the crystal, weak C—HO hydrogen bonds link the binuclear complex molecules into supramolecular chains running along [101].metal-organic compoundsOpen access
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The title compound, [Cu(C7H4ClO2)2(C10H14N2O)2(H2O)], has twofold symmetry with the CuII cation and the O atom of the coordinating water molecule located on the axis. The CuII cation is coordinated by two carboxylate O atoms of chlorobenzoate (CB) anions, two N atoms of N,N-diethylnicotinamide (DENA) ligands and one water molecule in a distorted N2O3 square-pyramidal geometry. The benzene and pyridine rings are oriented at a dihedral angle of 82.51 (6)°. In the anionic ligand, the carboxylate group is twisted away from the attached benzene ring by 12.85 (11)°. In the crystal, O—HO hydrogen bonds between the coordinating water molecule and the carboxyl group link the complex molecules into supramolecular chains running along the c-axis direction.
O hydrogen bonds between the coordinating water molecule and the carboxyl group link the complex molecules into supramolecular chains running along the c-axis direction.metal-organic compoundsOpen access
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In the crystal of the title CdII polymeric complex, [Cd(C7H4ClO2)2(C10H14N2O)(H2O)]n, the CdII cation is chelated by two chlorobenzoate anions and coordinated by two N,N-diethylnicotinamide (DENA) ligands and one water molecule in a distorted NO6 pentagonal–bipyramidal geometry. The CdII cations are bridged by the pyridine N atom and carbonyl O atom of the DENA ligand to form a polymeric chain running along the b axis. Intermolecular O—HO hydrogen bonds between coordinating water molecules and carboxylate groups link adjacent chains into layers parallel to the bc plane. π–π contacts between benzene rings [shortest centroid–centroid distance = 3.912 (2) Å] further stabilizes the crystal structure. In the molecule, weak C—HO hydrogen bonds occur between the pyridine ring and carboxylate groups; the dihedral angles between the carboxylate groups and adjacent benzene rings are 4.6 (3) and 12.8 (3)°, while the benzene rings are oriented at a dihedral angle of 1.89 (13)°.
O hydrogen bonds between coordinating water molecules and carboxylate groups link adjacent chains into layers parallel to the bc plane. π–π contacts between benzene rings [shortest centroid–centroid distance = 3.912 (2) Å] further stabilizes the crystal structure. In the molecule, weak C—HO hydrogen bonds occur between the pyridine ring and carboxylate groups; the dihedral angles between the carboxylate groups and adjacent benzene rings are 4.6 (3) and 12.8 (3)°, while the benzene rings are oriented at a dihedral angle of 1.89 (13)°.
