82 research outputs found
Diaquabis(2-hydroxybenzoato-κO1)bis(nicotinamide-κN1)cadmium–diaquabis(2-hydroxybenzoato-κ2O1,O1′)(nicotinamide-κN)cadmium–water (1/2/4)
No full textThe 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—H...O and weak C—H...O hydrogen bonds as well as extensive intermolecular O—H...O and N—H...O 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—H...π interaction also occurs. One of the lattice water molecules is disordered over two positions with an occupancy ratio of 0.70:0.30
Bis(4-fluorobenzoato-κ2O,O′)bis(nicotinamide-κN1)zinc(II) monohydrate
No full textThe title compound, [Zn(C7H4FO2)2(C6H6N2O)2]·H2O, is a monomeric complex. It contains two 4-fluorobenzoate and two nicotinamide ligands and one uncoordinated water molecule. The 4-fluorobenzoates act as bidentate chelating ligands, while the nicotinamides are monodentate. The six-coordinate geometry around the ZnII atom may be described as highly distorted octahedral, with the two nicotinamide ligands arranged cis. Intermolecular O—H...O and N—H...O hydrogen bonds link the molecules into a supramolecular structure
Diaquabis(4-chlorobenzoato-κO)bis(N,N-diethylnicotinamide-κN1)manganese(II)
No full textThe title compound, [Mn(C7H4ClO2)2(C10H14N2O)2(H2O)2], is a monomeric complex with the MnII atom lying on an inversion center. It contains two 4-chlorobenzoate and two diethylnicotinamide ligands and two water molecules, all of which are monodentate. The four O atoms in the equatorial plane around the Mn atom form a slightly distorted square-planar arrangement, while the distorted octahedral geometry is completed by two N atoms in the axial positions. In the crystal structure, O—H...O hydrogen bonds link the molecules into an infinite chain
Diaquabis(4-bromobenzoato-κ2O,O′)zinc(II)
No full textThe monomeric title ZnII complex, [Zn(C7H4BrO2)2(H2O)2], contains two 4-bromobenzoate (BB) ligands and two coordinated water molecules around a ZnII atom on a twofold rotation axis. The BB ions act as bidentate ligands, with two very dissimilar coordination distances. The sixfold coordination around the ZnII may be described as highly distorted octahedral, with the two aqua ligands arranged cis. Hydrogen bonding involving the carboxylate O atoms has an effect on the delocalization in the carboxylate groups. In the crystal structure, intermolecular O—H...O hydrogen bonds link the molecules into chains parallel to the c axis and stacked along the b axis
trans-Tetraaquabis(isonicotinamide-κN1)zinc bis(3-hydroxybenzoate) tetrahydrate
No full textThe 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—H...O and N—H...O and weak C—H...O 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
Diaquabis(N,N-diethylnicotinamide-κN1)bis(4-formylbenzoato-κO1)zinc
No full textIn the title complex, [Zn(C8H5O3)2(C10H14N2O)2(H2O)2], the ZnII cation is located on an inversion center and is coordinated by two 4-formylbenzoate anions, two N,N-diethylnicotinamide (DENA) ligands and two water molecules. The four O atoms in the equatorial plane around the ZnII cation 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 carboxylate group and the adjacent benzene ring is 2.96 (11)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 79.26 (4)°. The coordinating water molecule links with the carboxylate group via an intramolecular O—H...O hydrogen bond. In the crystal, O—H...O and weak C—H...O hydrogen bonds link the molecules into a three-dimensional supramolecular network. A π–π contact between the parallel pyridine rings of adjacent molecules may further stabilize the crystal structure [centroid–centroid distance = 3.5654 (8) Å]
catena-Poly[[aquabis(3-chlorobenzoato-κ2O,O′)cadmium]-μ-N,N-diethylnicotinamide-κ2N1:O]
Full text linkIn 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—H...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—H...O 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)°
Diaquabis(2-bromobenzoato-κO)bis(N,N-diethylnicotinamide-κN1)zinc(II)
No full textIn the centrosymmetric title complex, [Zn(C7H4BrO2)2(C10H14N2O)2(H2O)2], the ZnII 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)°, while the pyridine and benzene rings are oriented at a dihedral angle of 44.07 (6)°. In the crystal structure, O—H...O hydrogen bonds link the molecules into infinite chains
Tetraaquabis[4-(methylamino)benzoato-κO]nickel(II)
No full textThe title complex, [Ni(C8H8NO2)2(H2O)4], is centrosymmetric with the NiII ion located on a centre of symmetry. It contains two 4-(methylamino)benzoate (PMAB) anions and four coordinated water molecules. 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 two O atoms of the PMAB anions in the axial positions. In the crystal structure, intermolecular O—H...O, O—H...N, N—H...O and C—H...O hydrogen bonds link the molecules into a three-dimensional network
Diaquabis(4-methylaminobenzoato-κO)bis(nicotinamide-κN1)nickel(II)
No full textThe title NiII 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)°, while the pyridine and benzene rings are oriented at a dihedral angle of 66.15 (4)°. In the crystal structure, intermolecular O—H...O and N—H...O hydrogen bonds link the molecules into a three-dimensional network
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