51 research outputs found

    Diaqua­bis(4-bromo­benzoato-κ2 O,O′)zinc(II)

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    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′]

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    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

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    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]

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    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

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    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

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    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)

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    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

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    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

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    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)]

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    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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