Aqua­bis­(4-fluoro­benzoato-κO)bis­(nicotinamide-κN 1)copper(II) nicotinamide hemisolvate trihydrate

The asymmetric unit of the title compound, [Cu(C7H4FO2)2(C6H6N2O)2(H2O)]·0.5C6H6N2O·3H2O, contains two aqua­bis­(4-fluoro­benzoato)bis­(nicotinamide)­copper(II) mol­ecules, one nicotinamide solvent mol­ecule and six water mol­ecules. The CuII ion is coordinated by two O atoms from two 4-fluoro­benzoate ligands, two N atoms from two nicotinamide ligands and one water O atom in a distorted square-pyramidal geometry. In the crystal, O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds consolidate the crystal packing, which also exhibits π–π inter­actions between the aromatic rings [centroid–centroid distances 3.692 (2)–3.794 (2) Å]

Bis­(4-fluoro­benzoato)-κ2 O,O′;κO-(4-fluoro­benzoic acid-κO)bis­(nico­tinamide-κN 1)copper(II)

In the title CuII complex, [Cu(C7H4FO2)2(C7H5FO2)(C6H6N2O)2], the CuII cation is coordinated by two N atoms of two nicotinamide (NA) ligands, and by four O atoms from two 4-fluoro­benzoate (PFB) anions and one 4-fluoro­benzoic acid (PFBA) mol­ecule, in a distorted octa­hedral geometry. In the mol­ecule, two Cu—O bond lengths are significantly longer than the other two. The dihedral angles between the carboxyl­ate groups and the adjacent benzene rings are 11.08 (14), 7.62 (13) and 5.73 (11)°, while the benzene rings are oriented at dihedral angles of 15.62 (6), 33.71 (8) and 26.60 (8)°. In the crystal structure, extensive N—H⋯O, C—H⋯F and C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. π–π contacts between the benzene rings [centroid-to-centroid distances = 3.5517 (15), 3.8456 (14) and 3.9265 (13) Å] further stabilize the crystal structure

Di-μ-nicotinamide-κ2 N 1:O;κ2 O:N 1-bis­[aqua­bis­(4-bromo­benzoato)-κO;κ2 O,O′-manganese(II)]

In the centrosymmetric dinuclear title compound, [Mn2(C7H4BrO2)4(C6H6N2O)2(H2O)2], the MnII atom is coordinated by one N atom from one bridging nicotinamide ligand and one O atom from another symmetry-related bridging nicotinamide ligand, three O atoms from two 4-bromo­benzoate ligands and one water mol­ecule in a distorted octa­hedral geometry. The dihedral angles between the carboxyl­ate groups and the adjacent benzene rings are 10.89 (16) and 8.4 (2)°, while the benzene rings are oriented at a dihedral angle of 6.09 (13)°. Inter­molecular O—H⋯O, N—H⋯O and weak C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. π–π inter­actions, indicated by short centroid–centroid distances [3.845 (2) Å between the benzene rings, 3.650 (2) Å between the pyridine rings and 3.700 (3) Å between the benzene and pyridine rings] further stabilize the structure

Poly[[diaqua­manganese(II)]-bis­(μ-4-fluoro­benzoato-κ2 O: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

trans-Diaqua­bis­(4-fluoro­benzoato-κO)bis­(nicotinamide-κN 1)nickel(II)

In the mononuclear NiII title complex, [Ni(C7H4FO2)2(C6H6N2O)2(H2O)2], the NiII atom, located on an inversion center, is coordinated by two nicotinamide and two 4-fluoro­benzoate ligands and two water mol­ecules in a distorted N2O4 octa­hedral geometry. The dihedral angle between the carboxyl­ate group and the adjacent benzene ring is 8.95 (8)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 75.01 (7)°. The water mol­ecule links the adjacent carboxyl­ate O atom via an intra­molecular O—H⋯O hydrogen bond. In the crystal, O—H⋯O, N—H⋯O, C—H⋯O and C—H⋯F hydrogen bonds link the mol­ecules into a three-dimensional network. π–π stacking between parallel pyridine rings [centroid–centroid distance = 3.7287 (11) Å] is also observed

Diaqua­bis­(4-bromo­benzoato-κO)bis­(N,N-diethyl­nicotinamide-κN 1)manganese(II)

In the crystal structure of the title MnII complex, [Mn(C7H4BrO2)2(C10H14N2O)2(H2O)2], the MnII cation is located on an inversion center and coordinated by two diethyl­nicotinamide (DENA) ligands, two 4-bromo­benzoate (PBB) anions and two water mol­ecules in a distorted octa­hedral geometry. The dihedral angle between the carboxyl­ate group and the adjacent benzene ring is 3.25 (14)°. In the mol­ecule, the pyridine ring and the benzene ring are oriented at a dihedral angle of 77.24 (5)°. In the crystal, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into a two-dimensional network. Weak inter­molecular C—H⋯O hydrogen bonds and π–π inter­actions between the pyridine rings of neighbouring mol­ecules [centroid–centroid distance = 3.537 (1) Å] further consolidate the crystal packing

Diaqua­bis­(4-bromo­benzoato-κO)bis­(nicotinamide-κN 1)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

Diaqua­Bis­(N,N′-Diethyl­Nicotinamide-Κn1)Bis­(4-Fluoro­Benzoato-Κo)Copper(Ii)

The asymmetric unit of the title mononuclear CuII complex, [Cu(C7H4FO2)2(C10H14N2O)2(H2O)2], contains one-half of the mol­ecule. The CuII ion is located on an inversion centre, and is coordinated by two N atoms from two diethyl­nicotinamide ligands, two O atoms from two 4-fluoro­benzoate (PFB) ligands and two water mol­ecules in a distorted octa­hedral geometry. In the PFB ligand, the carboxyl­ate group is twisted at an angle of 2.10 (14)° from the attached benzene ring. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds link mol­ecules related by translation along the a axis into chains. Weak inter­molecular C—H⋯O hydrogen bonds and π–π inter­actions between the pyridine rings of neighbouring mol­ecules [centroid-to-centroid distance = 3.571 (2) Å] further consolidate the crystal packing.PubMedWoSScopu