metal-organic compounds
Open access
In the title complex, [Co(C7H4ClO2)2(C6H6N2O)2(H2O)2], the CoII cation is located on an inversion center and is coordinated by two 2-chlorobenzoate anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the CoII cation 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 adjacent benzene ring is 29.7 (4)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.17 (15)°. Intramolecular O—HO hydrogen bonding occurs between the carboxylate group and coordinating water molecule. In the crystal, intermolecular N—HO, O—HO and weak C—HO hydrogen bonds link the molecules into a three-dimensional network.
metal-organic compounds
Open access
The crystal structure of the title compound, [Cd(C7H5O3)2(C6H6NO)2(H2O)2]·2[Cd(C7H5O3)2(C6H6NO)(H2O)2]·4H2O, consists of two kinds of CdII complexes (A and B) and lattice water molecules. In complex A, [Cd(C7H5O3)2(C6H6NO)2(H2O)2], the CdII cation is located on an inversion center and is coordinated by two salicylate anions, two nicotinamide (NA) ligands and two water molecules in a slightly distorted octahedral geometry. In complex B, [Cd(C7H5O3)2(C6H6NO)(H2O)2], the CdII cation is coordinated by two salicylate anions, one nicotinamide (NA) ligand and two water molecules in an irregular seven-coordinate geometry. There are extensive intramolecular O—HO and weak C—HO hydrogen bonds as well as extensive intermolecular O—HO and N—HO hydrogen bonding in the crystal structure. π–π stacking between the pyridine and benzene rings, between the benzene rings, between the benzene and pyridine rings and between the pyridine rings [centroid–centroid distances = 3.5989 (10), 3.6005 (10), 3.5800 (9) and 3.5205 (10) Å, respectively] further stabilize the crystal structure. A weak N—Hπ interaction also occurs. One of the lattice water molecules is disordered over two positions with an occupancy ratio of 0.70:0.30.
metal-organic compounds
Open access
The asymmetric unit of the title compound, [Zn(C6H6N2O)2(H2O)4](C7H5O3)2·4H2O, contains half of the complex cation with the ZnII ion located on an inversion center, a 3-hydroxybenzoate counter-anion and two uncoordinating water molecules. Four water O atoms in the equatorial plane around the ZnII ion [Zn—O = 2.089 (2) and 2.128 (2) Å] form a slightly distorted square-planar arrangement and the distorted octahedral geometry is completed by the two N atoms [Zn—N = 2.117 (2) Å] from two isonicotinamide ligands. In the anion, the carboxylate group is twisted from the attached benzene ring at 9.0 (2)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O—HO and N—HO and weak C—HO hydrogen bonds, consolidates the crystal packing, which exhibits π–π stacking between the benzene and pyridine rings, with centroid–centroid distances of 3.458 (2) and 3.609 (2) Å. One of the two H atoms of each uncoordinating water molecule is disordered over two orientations with an occupancy ratio of 0.60:0.40.
metal-organic compounds
Open access
Bis(μ-4-formylbenzoato-κ2O:O′)bis[(4-formylbenzoato-κ2O,O′)bis(isonicotinamide-κN1)copper(II)]
The asymmetric unit of the centrosymmetric dinuclear title compound, [Cu2(C8H5O3)4(C6H6N2O)4], contains one half of the complex molecule. The CuII atoms are bridged by the carboxylate groups of two 4-formylbenzoate (FOB) anions. Besides the two bridging FOB anions, one additional chelating FOB anion and two isonicotinamide (INA) ligands complete the distorted CuN2O4 octahedral coordination of each Cu2+ cation. Within the asymmetric unit, the benzene and pyridine rings are oriented at dihedral angles of 25.1 (3) and 12.6 (3)°, respectively. In the crystal, N—HO and C—HO hydrogen bonds link the molecules into a three-dimensional network. π–π contacts between the pyridine rings [shortest centroid–centroid distance = 3.821 (3) Å] may further stabilize the crystal structure. One of the formyl groups of the two FOB anions is disordered over two sets of sites with an occupancy ratio of 0.65:0.35.
metal-organic compounds
Open access
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—HO 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 compounds
Open access
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.
metal-organic compounds
Open access
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.
metal-organic compounds
Open access
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.
metal-organic compounds
Open access
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].
metal-organic compounds
Open access
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.
metal-organic compounds
Open access
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)°.