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Publications (15)2.78 Total impact

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    ABSTRACT: In the centrosymmetric binuclear title complex, [Co2(C11H14NO2)4(C10H14N2O)2], the two CoII cations [Co...Co = 2.6199 (5) Å] are bridged by four 4-(diethylamino)benzoate (DEAB) anions. The four nearest O atoms around each CoII ion form a distorted square-planar arrangement, the distorted square-pyramidal coordination geometry being completed by the pyridine N atom of an N,N-diethylnicotinamide (DENA) ligand. The dihedral angle between the benzene ring and the carboxylate group is 7.06 (11)° in one of the independent DEAB ligands and 4.42 (9)° in the other. The benzene rings of the two independent DEAB ligands are oriented at a dihedral angle of 86.35 (8)°. The pyridine ring is oriented at dihedral angles of 31.43 (6) and 57.92 (7)° with respect to the two benzene rings. In the crystal, weak intermolecular C—H...O interactions link the molecules into a three-dimensional network. Weak C—H...π interactions are also present in the crystal structure.
    Acta Crystallographica Section E. 01/2011;
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    ABSTRACT: In the dinuclear centrosymmetric CdII compound, [Cd2(C8H8NO2)4(C6H6N2O)2(H2O)2], the metal atom is chelated by two carboxylate groups from 4-(methylamino)benzoate (PMAB) anions, and coordinated by one nicotinamide and one water molecule; a carboxylate O atom from the adjacent PMAB anion bridges to the Cd atom, completing the irregular seven-coordination geometry. In the crystal, 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 = 3.965 (1) Å] may further stabilize the structure. A weak C—H...π interaction also occurs.
    Acta Crystallographica Section E. 01/2010;
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    ABSTRACT: The asymmetric unit of the title CoII complex, [Co(C8H8NO2)2(C6H6N2O)2(H2O)2], contains two half complex molecules with similar structures. The CoII atoms are each located on an inversion center and each is coordinated by two 4-methylaminobenzoate (PMAB), two nicotinamide (NA) ligands and two water molecules in a distorted octahedral coordination. The dihedral angles between the carboxylate groups and the adjacent benzene rings are 3.0 (3) and 2.54 (19)°, while the pyridine and benzene rings are oriented at dihedral angles of 67.40 (8) and 66.25 (8)°. In the crystal structure, intermolecular O—H...O and N—H...O hydrogen bonds link the molecules into a supramolecular structure.
    Acta Crystallographica Section E Structure Reports Online 01/2010; · 0.35 Impact Factor
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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 Structure Reports Online 01/2010; · 0.35 Impact Factor
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    ABSTRACT: In the centrosymmetric title structure, [Zn(C9H10NO2)2(C6H6N2O)2(H2O)2]·2H2O, the ZnII cation, located on an inversion center, is coordinated by two 4-(methylamino)benzoate anions, two nicotinamide ligands and two water molecules in a slightly distorted octahedral geometry. The dihedral angle between the carboxylate group and the attached benzene ring is 3.09 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 77.10 (4)°. The uncoordinated water molecule is linked to nicotinamide ligands by O—H...O hydrogen bonds. In the crystal, intermolecular N—H...O, O—H...O and C—H...O hydrogen bonds link the molecules into a three-dimensional network. A weak N—H...π interaction also occurs.
    Acta Crystallographica Section E Structure Reports Online 01/2010; · 0.35 Impact Factor
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    ABSTRACT: The asymmetric unit of the title compound, C8H9NO2, contains three crystallographically independent molecules, which are essentially planar, the carboxyl O atoms deviating by 0.091 (3), 0.101 (2) and 0.164 (3) Å from the mean plane through the non-H atoms. In the crystal, all three molecules form O—H...O hydrogen-bonded about inversion centers, forming eight-membered rings with graph-set notation R22(8). In addition, N—H...O hydrogen bonding and C—H...π interactions reinforce the packing.
    Acta Crystallographica Section E Structure Reports Online 01/2009; · 0.35 Impact Factor
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    ABSTRACT: The 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.
    Acta Crystallographica Section E Structure Reports Online 01/2009; · 0.35 Impact Factor
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    ABSTRACT: The title CoII complex, [Co(C9H10NO2)2(C6H6N2O)(H2O)2], contains two 4-dimethylaminobenzoate (DMAB) anions, one isonicotinamide (INA) ligand and two coordinated water molecules. One of the DMAB anions acts as a bidentate ligand, while the other is monodentate. The four O atoms in the equatorial plane around the Co atom form a highly distorted square-planar arrangement, while the distorted octahedral coordination geometry is completed by the N atom of the INA ligand and the O atom of the second water molecule in the axial positions. An intramolecular O—H...O hydrogen bond between the monodentate-coordinated carboxyl group and a coordinated water molecule results in a six-membered ring with an envelope conformation. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 4.29 (10)° for the monodentate ligand and 2.31 (13)° for the bidentate ligand, while the two benzene rings are oriented at a dihedral angle of 65.02 (5)°. The dihedral angles between the pyridine and benzene rings are 11.21 (5)° for the monodentate ligand and 74.60 (5)° for the bidentate ligand. In the crystal structure, intermolecular O—H...O, O—H...N and N—H...O hydrogen bonds link the molecules into a supramolecular structure.
    Acta Crystallographica Section E. 01/2009;
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    ABSTRACT: The molecule of the title ZnII complex, [Zn(C9H10NO2)2(C6H6N2O)(H2O)2], contains two 4-(dimethylamino)benzoate (DMAB) ligands, one isonicotinamide (INA) ligand and two water molecules; one of the DMAB ions acts as a bidentate ligand while the other and INA are monodentate ligands. The four O atoms in the equatorial plane around the Zn atom form a distorted square-planar arrangement, while the distorted octahedral coordination is completed by the N atom of the INA ligand and the O atom of the water molecule in the axial positions. Intramolecular C—H...O hydrogen bonding results in the formation of a six-membered ring adopting an envelope conformation. The dihedral angle between the carboxyl groups and the adjacent benzene rings are 4.87 (16) and 2.2 (2)°, while the two benzene rings are oriented at a dihedral angle of 65.13 (8)°. The dihedral angle between the benzene and pyridine rings are 11.47 (7) and 74.83 (8)°, respectively. In the crystal structure, intermolecular O—H...O, O—H...N and N—H...O hydrogen bonds link the molecules into a supramolecular structure. π–π contacts between the pyridine and benzene rings and between the benzene rings [centroid–centroid distances = 3.695 (1) and 3.841 (1) Å, respectively] further stabilize the structure. Weak intermolecular C—H...π interactions are also present.
    Acta Crystallographica Section E Structure Reports Online 01/2009; · 0.35 Impact Factor
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    ABSTRACT: The title MnII complex, [Mn(C9H10NO2)2(C6H6N2O)(H2O)2], contains two 4-(dimethylamino)benzoate (DMAB) anions, one isonicotinamide (INA) ligand and two coordinated water molecules. One of the DMAB anions acts as a bidentate ligand, while the other is monodentate. The four O atoms in the equatorial plane around the Mn atom form a highly distorted square-planar arrangement, while the distorted octahedral coordination geometry is completed by the N atom of the INA ligand and the O atom of the second water molecule in the axial positions. In the crystal structure, strong intermolecular O—H...O, O—H...N and N—H...O hydrogen bonds link the molecules into a two-dimensional network parallel to (010). Two weak C—H...π interactions are also found.
    Acta Crystallographica Section E Structure Reports Online 01/2009; · 0.35 Impact Factor
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    ABSTRACT: The title molecule, [Zn2(C8H8NO2)4(C10H14N2O)2]·2H2O, is a centrosymmetric binuclear complex, with two ZnII ions [Zn...Zn' = 2.9301 (4) Å] bridged by four methylaminobenzoate (MAB) ligands. The four nearest O atoms around each ZnII ion form a distorted square-planar arrangement with the distorted square-pyramidal coordination completed by the pyridine N atom of the N,N-diethylnicotinamide (DENA) ligand. Each ZnII ion is displaced by 0.3519 (2) Å from the plane of the four O atoms, with an average Zn—O distance of 2.030 Å. The dihedral angles between carboxylate groups and adjacent benzene rings are 10.57 (10) and 16.63 (12)°, while the benzene rings are oriented at a dihedral angle of 81.84 (5)°. The pyridine ring is oriented at dihedral angles of 40.49 (6) and 51.25 (6)° with respect to the benzene rings. In the crystal structure, intermolecular O—H...O and N—H...O hydrogen bonds link the molecules into a three-dimensional network. The π–π contact between the inversion-related pyridine rings [centroid–centroid distance = 3.633 (1) Å] may further stabilize the crystal structure.
    Acta Crystallographica Section E. 01/2009;
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    ABSTRACT: The title zinc complex, [Zn(C8H8NO2)2(C6H6N2O)2], is composed of two monodentate 4-(methylamino)benzoate and two monodentate nicotinamide ligands. The coordination around the Zn atom is distorted tetrahedral. The dihedral angles between the two benzene rings and the two pyridine rings are 78.30 (6) and 68.86 (5)°. In the crystal structure, intermolecular N—H...O hydrogen bonds link the molecules into an infinite three-dimensional network.
    Acta Crystallographica Section E. 01/2009;
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    ABSTRACT: In the centrosymmetric binuclear title complex, [Zn2(C11H14NO2)4(C10H14N2O)2], the two ZnII ions [Zn...Zn = 2.8874 (3) Å] are bridged by four 4-(diethylamino)benzoate (DEAB) ligands. The four nearest O atoms around each ZnII ion form a distorted square-planar arrangement, the distorted square-pyramidal coordination being completed by the pyridine N atom of an N,N-diethylnicotinamide (DENA) ligand at a distance of 2.0484 (12) Å. The dihedral angle between the benzene ring and the carboxylate group is 4.89 (6)° in one of the independent DEAB ligands and 7.13 (7)° in the other. The benzene rings of the two independent DEAB ligands are oriented at a dihedral angle of 86.58 (5)°. The pyridine ring is oriented at dihedral angles of 31.17 (4) and 58.38 (4)° with respect to the two benzene rings. In the crystal, weak intermolecular C—H...O interactions link the molecules into a three-dimensional network. Two weak C—H...π interactions are also present. The two ethyl groups of one of the DEAB ligands are disordered over two orientations, with occupancy ratios of 0.798 (5):0.202 (5) and 0.890 (5):0.110 (5).
    Acta Crystallographica Section E. 01/2009;
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    ABSTRACT: The title CoII complex, [Co(C9H10NO2)2(C10H14N2O)2(H2O)2], is centrosymmetric. It contains two dimethylaminobenzoate (DMAB) and two diethylnicotinamide (DENA) ligands and two water molecules, all of them being monodentate. The four O atoms in the equatorial plane around the Co atom form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of DENA ligands with the Co—N distance of 2.1519 (11) Å in the axial positions. The Co atom is displaced out of the least-squares plane of the carboxylate group by −0.781 (1) Å. The dihedral angle between the carboxylate group and the adjacent benzene ring is 5.05 (7)°, while the pyridine and benzene rings are oriented at a dihedral angle of 71.48 (5)°. In the crystal structure, intermolecular O—H...O and C—H...O hydrogen bonds link the molecules into a three-dimensional network. Two weak C—H...π interactions are also present.
    Acta Crystallographica Section E Structure Reports Online 01/2009; · 0.35 Impact Factor
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    ABSTRACT: The title molecule, [Zn2(C9H10NO2)4(C10H14N2O)2], is a centrosymmetric binuclear complex, with Zn atoms [Zn...Zn′ = 2.8927 (4) Å] bridged by four carboxylate groups from the dimethylaminobenzoate (DMAB) ligands. The four carboxyl O atoms around the Zn atom form a distorted square-planar arrangement; the distorted square-pyramidal coordination geometry is completed by the pyridine N atom of the N,N-diethylnicotinamide (DENA) ligand. The Zn atom is displaced by 0.3326 (2) Å from the plane of the four O atoms, with an average Zn—O distance of 2.0416 (12) Å. The dihedral angles between the carboxylate groups and the adjacent benzene rings are 5.31 (8) and 11.00 (9)°, while the pyridine ring is oriented at dihedral angles of 66.26 (6) and 37.88 (7)° with respect to the benzene rings. Weak intramolecular C—H...O and intermolecular C—H...π interactions are present.
    Acta Crystallographica Section E. 01/2009;