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ABSTRACT: In the crystal structure of the title compound, [Cd(C8H7O2)2(C6H6N2O)2(H2O)]·H2O, the CdII cation is coordinated by two 4-methylbenzoate (PMB) anions, two isonicotinamide (INA) ligands and one water molecule in a distorted octahedral CdN2O4 geometry. One of PMB ions acts as a bidentate ligand while the other and the two INA are monodentate ligands. An O—H...O hydrogen bond links the uncoordinated water molecule to the carboxyl groups of the complex. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 10.28 (11) and 21.24 (9)°, while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 6.90 (4) and 88.64 (4)°, respectively. In the crystal structure, O—H...O and N—H...O hydrogen bonds link the molecules into a supramolecular structure. A π–π contact between the benzene rings [centroid–centroid distance = 3.911 (1) Å] may further stabilize the crystal structure. Weak C—H...π interactions involving the pyridine rings also occur in the crystal structure.
Acta Crystallographica Section E. 01/2010;
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ABSTRACT: The 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.
Acta Crystallographica Section E. 01/2010;
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ABSTRACT: In the centrosymmetric dimeric CdII title compound, [Cd2(C9H10NO2)4(C6H6N2O)2(H2O)2], each seven-coordinated CdII atom is chelated by the carboxylate groups of the two 4-(dimethylamino)benzoate (DMAB) anions; the two monomeric units are bridged through the two O atoms of the two carboxyl groups. In the crystal structure, intermolecular 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 [centroid–centroid distance = 3.974 (1) Å] may further stabilize the structure. Weak C—H...π interactions are also observed.
Acta Crystallographica Section E. 01/2010;
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ABSTRACT: In the title complex, [Co(C8H7O3)2(C6H6N2O)(H2O)2], the CoII atom is coordinated by three O atoms from two 4-methoxybenzoate ligands, which act in different modes, viz. monodentate and bidentate, two water molecules and one N atom of the isonicotinamide ligand in a distorted octahedral geometry. The monodentate-coordinated carboxylate group is involved in an intramolecular O—H...O hydrogen bond with the coordinated water molecule. In the crystal structure, intermolecular O—H...O and N—H...O hydrogen bonds link the molecules into layers parallel to the ab plane. The crystal packing is further stabilized by weak C—H...O hydrogen bonds and π–π interactions indicated by the short distance of 3.6181 (8) Å between the centroids of the benzene and pyridine rings of neighbouring molecules.
Acta Crystallographica Section E. 01/2010;
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ABSTRACT: The asymmetric unit of the centrosymmetric dinuclear title compound, [Cu2(C8H7O3)4(C6H6N2O)2(H2O)2], contains one half of the complex molecule. Each CuII atom is five-coordinated by one N atom from one bridging nicotinamide ligand and one O atom from another symmetry-related bridging nicotinamide ligand, two O atoms from two 4-methoxybenzoate ligands, and one water molecule, forming a distorted square-pyramidal geometry. Intermolecular O—H...O and N—H...O hydrogen bonds link the molecules into layers parallel to (overline{1}01). π–π interactions, indicated by short intermolecular distances of 3.801 (1) Å between the centroids of the benzene rings and 3.653 (1) Å between the centroids of the pyridine rings, further stabilize the structure.
Acta Crystallographica Section E. 01/2010;
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ABSTRACT: The centrosymmetric title NiII complex, [Ni(C9H10NO2)2(C10H14N2O)2(H2O)2], contains two dimethylaminobenzoate (DMAB), two diethylnicotinamide (DENA) ligands and two water molecules, all of them monodentate. The four O atoms in the equatorial plane around the NiII atom form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of the DENA ligands in axial positions. The NiII atom is displaced by 0.681 (1) Å out of the least-squares plane of the carboxylate group. The dihedral angle between the carboxylate group and the adjacent benzene ring is 5.61 (7)°, while the pyridine and benzene rings are oriented at a dihedral angle of 73.20 (4)°. An intramolecular O—H...O hydrogen bond results in the formation of a six-membered ring with a twisted conformation. In the crystal structure, intermolecular O—H...O and C—H...O hydrogen bonds link molecules into a three-dimensional network. Two weak C—H...π interactions are also present.
Acta Crystallographica Section E. 01/2009;
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ABSTRACT: The condensation reactions of {N-[(2-hydroxyphenylmethyl)amino]-methylpyridines (5–8) with trimer, N3P3Cl6, have been afforded partially substituted novel spiro-cyclic phosphazene derivatives (9–12) (Scheme 1). Compounds (9–12) have been characterized by elemental analyses, FTIR, 1H–, 13C–, 31P-NMR, HETCOR, and MS. The structure of the spiro-cyclic phosphazene (9) has been examined crystallographically. It crystallizes in the P21/n space group with a=10.7906(10) Å, b=8.5625(17) Å, c=21.187(5) Å, β=91.298(12)°, V=1957.1(6) Å3, Z=4 and Dx=1.660 g cm−3. The structure consists of a non-planar phosphazene ring with a bulky methylpyridinyl and a benzo-fused spiro-cyclic side group. The six-membered spiro-cyclic ring has a twist-boat conformation.
Journal of Molecular Structure. 753:84-91.
