51 research outputs found
Diaquabis(4-bromobenzoato-κ2 O,O′)zinc(II)
The 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
catena-Poly[[aqua(2-iodobenzoato-κO)cobalt(II)]-μ-aqua-μ-2-iodobenzoato-κ2 O:O′]
The asymmetric unit of the polymeric title compound, [Co(C7H4IO2)2(H2O)2]n, contains one CoII cation, two iodobenzoate anions and two water molecules. One iodobenzoate anion and one water molecule bridge adjacent Co cations, forming a polymeric chain running along the a axis, while the other iodobenzoate anion and water molecule coordinate in a monodentate manner to the CoII cation, completing the slightly distorted octahedral geometry. In the two independent anionic ligands, the carboxylate groups are twisted away from the attached benzene rings by 51.38 (18) and 39.89 (11)°, and the two benzene rings are nearly perpendicular to each other with a dihedral angle of 86.09 (10)°. Intramolecular O—H⋯O hydrogen bonds between coordinating water molecules and adjacent carboxylate O atoms help to stabilize the molecular structure. In the crystal, weak C—H⋯O hydrogen bonds link the polymeric chains into a three-dimentional supramolecular network
trans-Tetraaquabis(isonicotinamide-κN 1)cobalt(II) bis(3-hydroxybenzoate) tetrahydrate
The asymmetric unit of the title compound, [Co(C6H6N2O)2(H2O)4](C7H5O3)2·4H2O, contains one-half of the complex cation with the CoII ion located on an inversion center, a 3-hydroxybenzoate counter-anion and two uncoordinated water molecules. Four water O atoms in the equatorial plane around the CoII ion [Co—O = 2.0593 (16) and 2.1118 (16) Å] form a slightly distorted square-planar arrangement, and the distorted octahedral geometry is completed by the two N atoms [Co—N = 2.1306 (18) Å] from two isonicotinamide ligands. In the anion, the carboxylate group is twisted from the attached benzene ring at 8.84 (17)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O—H⋯O and N—H⋯O hydrogen bonds, consolidates the crystal packing, which exhibits π–π interactions between the benzene and pyridine rings, with centroid–centroid distances of 3.458 (1) and 3.606 (1) Å, respectively
catena-Poly[[(μ-3-hydroxybenzoato-κ3 O 1,O 1′:O 3)(μ-3-hydroxybenzoato-κ3 O 1,O 1′:O 1)(isonicotinamide-κN 1)lead(II)] monohydrate]
In the crystal of the title polymeric compound, {[Pb(C7H5O3)2(C6H6N2O)]·H2O}n, the PbII ion is chelated by two carboxylate groups of 3-hydroxybenzoate (HB) anions, and coordinated by one isonicotinamide molecule; a carboxylate O atom and a hydroxy O atom from adjacent HB anions bridge the PbII ion to form polymeric chains along [100], in which the PbII ion is in an irregular seven-coordination geometry. The carboxylate groups of the HB ions are slightly twisted away from the attached benzene rings by 2.84 (15) and 4.8 (2)°. The planes of the two benzene rings of the HB ions are oriented with respect to each other at a dihedral angle of 84.41 (8)°. In the crystal, adjacent polymeric chains interact via O—H⋯O, N—H⋯O and weak C—H⋯O hydrogen bonds. The solvent water molecule links with the polymeric chains via O—H⋯O hydrogen bonding. π–π stacking between the benzene and pyridine rings and between the benzene rings [centroid–centroid distances = 3.731 (2) and 3.353 (2) Å] are present in the crystal
N′-[(E)-Benzylidene]-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazide
In the title compound, C19H18N4O2, the 1,8-naphthyridine ring system is essentially planar [r.m.s. deviation = 0.011 (3) Å]. The dihedral angle between the naphthyridine ring system and the phenyl ring is 28.95 (7)°. The carbohydrazide H atom is involved in an intramolecular N—H⋯O hydrogen bond, forming a six-membered hydrogen-bonded ring. In the crystal, the molecules arrange themselves into centrosymmetric dimers by means of intermolecular C—H⋯O hydrogen bonds
N-(4-Methoxy-2-nitrophenyl)-N-(methylsulfonyl)acetamide
In the title compound, C10H12N2O6S, the nitro group is twisted slightly out of the plane of the aromatic ring, forming a dihedral angle of 20.79 (1)°. In the crystal, the molecules arrange themselves as a chain along the a axis through intermolecular C—H⋯O interactions
Diaquabis(4-chlorobenzoato-κO)bis(N,N-diethylnicotinamide-κN 1)manganese(II)
The 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
Bis(μ-3-hydroxybenzoato)-κ3 O 1,O 1′:O 1;κ3 O 1:O 1,O 1′-bis[(3-hydroxybenzoato-κ2 O,O′)(isonicotinamide-κN 1)cadmium] tetrahydrate
In the title centrosymmetric binuclear CdII compound, [Cd2(C7H5O3)4(C6H6N2O)2]·4H2O, the six-coordinated CdII atom is chelated by the carboxylate groups of the two 3-hydroxybenzoate (HB) anions; the two monomeric units are bridged through the two O atoms of the two carboxylate groups. In the crystal, 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 pyridine rings and between the benzene rings [centroid-centroid distances = 3.770 (1), 3.769 (1) and 3.632 (1) Å] may further stabilize the structure
trans-Tetraaquabis(isonicotinamide-κN 1)nickel(II) bis(3-hydroxybenzoate) tetrahydrate
The asymmetric unit of the title compound, [Ni(C6H6N2O)2(H2O)4](C7H5O3)2·4H2O, contains one-half of the complex cation with the NiII ion located on an inversion center, a 3-hydroxybenzoate counter-anion and two uncoordinated water molecules. Four water O atoms in the equatorial plane around the NiII ion [Ni—O = 2.052 (2) and 2.079 (2) Å] form a slightly distorted square-planar arrangement, which is completed up to a distorted octahedron by the two N atoms [Ni—N = 2.075 (3) Å] from two isonicotinamide ligands. In the anion, the carboxylate group is twisted from the attached benzene ring by 8.8 (3)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O—H⋯O and N—H⋯O hydrogen bonds, consolidates the crystal packing, which also exhibits π–π interactions between the benzene and pyridine rings, with centroid–centroid distances of 3.455 (2) and 3.621 (2) Å, respectively
Tetrakis(μ-2-iodobenzoato-κ2 O:O′)bis[aquacopper(II)]
In the centrosymmetric binuclear title complex, [Cu2(C7H4IO2)4(H2O)2], the two CuII ions [Cu⋯Cu = 2.6009 (5) Å] are bridged by four 2-iodobenzoate (IB) ligands. The four nearest O atoms around each CuII ion form a distorted square-planar arrangement, the distorted square-pyramidal coordination being completed by the O atom of the water molecule at a distance of 2.1525 (16) Å. The dihedral angle between the benzene ring and the carboxylate group is 25.67 (13)° in one of the independent IB ligands and 6.44 (11)° in the other. The benzene rings of the two independent IB ligands are oriented at a dihedral angle of 86.61 (7)°. In the crystal, O—H⋯O interactions link the molecules into a two-dimensional network. π–π contacts between the benzene rings [centroid–centroid distances = 3.810 (2) and 3.838 (2) Å] may further stabilize the structure
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