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The asymmetric unit of the title compound, [Ni(C6H12N4OS)2]Cl2, contains two independent NiII complex cations and four chloride anions. Each NiII ion is six-coordinated in a distorted octahedral geometry by four N atoms from the two imine and two oxime groups and two S atoms from the thione group. In the crystal, the cations and anions are linked through N—H⋯Cl and O—H⋯Cl hydrogen bonds into infinite chains propagating along [10]. Weak intermolecular C—H⋯O and C—H⋯Cl hydrogen bonds are also observed.
doi:10.1107/S1600536811055395
PMCID: PMC3274853
PMID: 22346800
In the crystal structure of the title compound, C7H14N4OS, molecules are linked through N—H⋯S and O—H⋯N hydrogen bonds and C—H⋯S interactions, forming chains propagating along [21-1].
doi:10.1107/S1600536812028632
PMCID: PMC3414996
PMID: 22904983
In the title compound, C6H12N4OS, an intramolecular N—H⋯N hydrogen-bond is present giving rise to an S(5) ring motif. In the crystal, double-stranded chains propagating along [10] are formed via pairs of O—H⋯S and N—H⋯S hydrogen bonds. The chains are further stabilized by C—H⋯S interactions.
doi:10.1107/S1600536811053621
PMCID: PMC3254522
PMID: 22259468
In the title compound, C11H15N3O3S, the C—S—N(H)—N linkage is nonplanar, the torsion angle being 75.70 (12)°. The compound has two almost planar fragments linked to the S atom: the hydrazone-derivative fragment [(HONC4H6)N—N(H)–] and the tolyl fragment (C7H7–) have maximum deviations from the mean plane through the non-H atoms of 0.0260 (10) and 0.0148 (14) Å, respectively. The two planar fragments make an interplanar angle of 79.47 (5)°. In the crystal, molecules are connected through inversion centers via pairs of N—H⋯O and O—H⋯N hydrogen bonds.
doi:10.1107/S1600536812003339
PMCID: PMC3297317
PMID: 22412507
The title centrosymmetric mononuclear complex, [Ni(C4H6NO3)2(H2O)2], is a polymorph of the previously reported complex [Dudarenko et al. (2010 ▶). Acta Cryst. E66, m277–m278]. The NiII atom, lying on an inversion center, is six-coordinated by two carboxylate O atoms and two oxime N atoms from two trans-disposed chelating 3-hydroxyiminobutanoate ligands and two axial water molecules in a distorted octahedral geometry. The hydroxy group forms an intramolecular hydrogen bond with the coordinated carboxylate O atom. The complex molecules are linked in stacks along [010] by a hydrogen bond between the water O atom and the carboxylate O atom of a neighboring molecule. The stacks are further linked by O—H⋯O hydrogen bonds into a layer parallel to (001).
doi:10.1107/S1600536810006306
PMCID: PMC2983669
PMID: 21580256
The molecular structure of the title compound, C11H13N3S, is not planar: the maximum deviation from the mean plane of the non-H atoms is 0.521 (2) Å for an aliphatic C atom, which corresponds to an envelope conformation for the non-aromatic ring. The hydrazinecarbothioamide substituent and the benzene ring have maximum deviations from the mean planes through the non-H atoms of 0.0288 (16) and 0.0124 (27) Å, respectively, and the dihedral angle between the two planes is 8.84 (13)°. In the crystal, molecules are linked into chains along [10] by pairs of N—H⋯S hydrogen bonds between molecules related by centres of symmetry.
doi:10.1107/S1600536812033302
PMCID: PMC3415020
PMID: 22905007
In the neutral, mononuclear title complex, [Ni(C4H6NO3)2(H2O)2], the Ni atom lies on a crystallographic inversion centre within a distorted octahedral N2O4 environment. Two trans-disposed anions of 3-hydroxyiminobutanoic acid occupy four equatorial sites, coordinated by the deprotonated carboxylate and protonated oxime groups and forming six-membered chelate rings, while the two axial positions are occupied by the water O atoms. The O atom of the oxime group forms an intramolecular hydrogen bond with the coordinated carboxylate O atom. The complex molecules are linked into chains along b by hydrogen bonds between the water O atom and the carboxylate O of a neighbouring molecule. The chains are linked by further hydrogen bonds into a layer structure.
doi:10.1107/S1600536810004605
PMCID: PMC2983569
PMID: 21580224
In the title compound, [Fe(C9H13N4O4)(NH3)2], the FeIII atom, lying on a mirror plane, is coordinated by four N atoms of a triply deprotonated tetradentate N-[2-(hydroxyimino)propionyl]-N′-[2-(oxidoimino)propionyl]propane-1,3-diaminide ligand in the equatorial plane and two N atoms of two ammonia molecules at the axial positions in a distorted octahedral geometry. A short intramolecular O—H⋯O hydrogen bond between the cis-disposed oxime O atoms stabilizes the pseudo-macrocyclic configuration of the ligand. In the crystal, molecules are linked by N—H⋯O hydrogen bonds into a three-dimensional network. The ligand has a mirror-plane symmetry. One of the methylene groups of the propane bridge is disordered over two sets of sites with equal occupancy factors.
doi:10.1107/S160053681204826X
PMCID: PMC3588803
PMID: 23468768
The asymmetric unit of the title compound, [Ni(C15H11N4OS)2]·C3H7NO, contains one NiII complex molecule and one disordered dimethylformamide solvent molecule. The NiII ion is six-coordinated in a distorted octahedral geometry by two N, two O and two S atoms. An intramolecular C—H⋯S hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked through intermolecular N—H⋯S, N—H⋯O, C—H⋯N, C—H⋯O and C—H⋯S hydrogen bonds into infinite two-dimensional network parallel to the ab plane. The structure is further stablized by weak C—H⋯π interactions. The dimethylformamide solvent molecule is disordered over two sets of sites in a 0.514 (15):0.486 (15) ratio.
doi:10.1107/S1600536812012834
PMCID: PMC3344298
PMID: 22590064
The complete molecule of the title complex, [Ni(C19H21N2OS2)2], is generated by the application of twofold symmetry. The NiII atom is N,S-chelated by two hydrazinecarbodithioate ligands, which provide an N2S2 donor set that defines a distorted square-planar geometry, the S atoms being approximately cis. The conformation of the chelate ring is an envelope with the NiII atom being the flap atom. The dihedral angle between the least-squares planes through the chelate rings = 30.10 (6)°. Supramolecular chains propagated by glide symmetry along the c axis and mediated by C—H⋯N contacts feature in the crystal packing.
doi:10.1107/S1600536812019289
PMCID: PMC3379070
PMID: 22719291
The title mononuclear nickel complex, [Ni(C9H9BrNO2)2]·H2O, was obtained by the reaction of 5-bromosalicylaldehyde, 2-aminoethanol and nickel nitrate in methanol. The NiII atom is six-coordinated by two phenolate O, two imine N and two hydroxy O atoms from two crystallographically different Schiff base ligands, forming an octahedral geometry. In the crystal, molecules are linked by intermolecular O—H⋯O and O—H⋯Br hydrogen bonds, forming a three-dimensional network.
doi:10.1107/S1600536811031771
PMCID: PMC3200792
PMID: 22058854
In the title compound, C11H11FN4OS, an intramolecular N—H⋯O hydrogen bond generates an S(6) ring. In the crystal, molecules form chains through N—H⋯O hydrogen bonds, which are extended by N—H⋯S hydrogen bonds into an infinite three-dimensional network.
doi:10.1107/S1600536812036471
PMCID: PMC3470224
PMID: 23125668
The title compound, C11H13N3S, is close to being planar, with a dihedral angle of 9.64 (3)° between the benzene ring and the thiosemicarbazone mean plane, maintained by the presence of π-conjugation in the chain linking the the two systems. In the crystal, N—H⋯S hydrogen bonds form centrosymmetric dimers through a cyclic association [graph-set R
2
2(8)].
doi:10.1107/S1600536812037397
PMCID: PMC3470202
PMID: 23125646
In the title Schiff base complex, [Ni(C18H14Cl4N2O2)(C3H7NO)2], the geometry around the NiII atom is distorted octahedral. It is coordinated by the N2O2 donor atoms of the tetradentate Schiff base ligand and the O atoms of two dimethylformamide molecules, which are cis to one another. The benzene rings are almost normal to each other [dihedral angle = 88.60 (14)°]. The various intramolecular C—H⋯O hydrogen bonds make S(5) and S(6) ring motifs. In the crystal, molecules are linked by pairs of weak C—H⋯Cl interactions, forming inversion dimers.
doi:10.1107/S1600536812028681
PMCID: PMC3393240
PMID: 22807808
In the title compound, C12H17N3O2S, the dihedral angle between the mean planes of the hydrazinecarbothioamide group and the benzene ring is 86.8 (4)°. In the crystal, intermolecular O—H⋯S hydrogen bonds link the molecules into chains along [001]. The crystal studied was an inversion twin, the refined ratio of the twin components being 0.98021 (3):0.01978 (7).
doi:10.1107/S1600536812039323
PMCID: PMC3470346
PMID: 23125759
The asymmetric unit of the title compound, 2C20H22N3O3
+·SO4
2−·H2O, contains four cations, two sulfate anions and two lattice water molecules. One of the four cations shows a different conformation of the hydroxyethyl group; the remaining three are all essentially superimposable. Two cations exhibit two-site orientational disorder [ratios = 0.524 (5):0.476 (5) and 0.616 (6):0.384 (6)] of the last two atoms of their hydroxyethyl groups, and one water molecule is disordered over two positions in a 0.634 (13):0.366 (13) ratio. Each imine H atom is intramolecularly in contact with the adjacent carboxyl O atom, forming an S(6) motif, while all the carboxylic acid H atoms are hydrogen bonded to O atoms of the sulfate anions. Other notable hydrogen-bond interactions involve (methylene, phenyl and imine chain) C—H⋯O (sulfate and carboxyl) and O—H⋯O(water) contacts, making up a comprehensive three-dimensional network involving D
2
2(n), with n = 4–6 and 15–16, and C
2
2(17) classical hydrogen-bond motifs. The crystal investigated was twinned by pseudomerohedry with a twin component ratio of 0.4745 (12):0.5255 (12).
doi:10.1107/S1600536813003188
PMCID: PMC3588437
PMID: 23476537
The title compound, C10H12N4O2, features an intramolecular N—H⋯N hydrogen bond formed between the imine NH and oxime N atoms. The oxime group and the amide C=O bond are anti to each other. In the crystal, molecules are connected by O—H⋯O hydrogen bonds into supramolecular zigzag chains along the c axis.
doi:10.1107/S1600536809033352
PMCID: PMC2969988
PMID: 21577640
In the title compound, [Ni(C16H8N2O4)(C5H5N)3]·C5H5N, the NiII atom is six-coordinated by two O atoms and one N atom from the Schiff base ligand and by three N atoms from three pyridine molecules, forming a distorted octahedral geometry. The Ni—O(phenolate) bond [1.9750 (16) Å] is shorter than the Ni—O(carbonyl) bond [2.0840 (16) Å] and the Ni—N bonds (mean 2.120 Å).
doi:10.1107/S1600536808023489
PMCID: PMC2961996
PMID: 21203066
In the title compound, C23H27F3N2OS+·2Cl−, the piperazinediium ring adopts a chair conformation. The dihedral angle between the two outer aromatic rings of the 9H-thioxanthene unit is 40.35 (18)°. The F atoms in the trifluoromethyl group are disordered over two sets of sites with occupancies of 0.803 (6) and 0.197 (6). In the crystal, molecules are connected by N—H⋯Cl, O—H⋯Cl C—H⋯O and C—H⋯Cl hydrogen bonds, forming chains propagating along [001]. There are also C—H⋯π interactions present in the crystal structure.
doi:10.1107/S1600536811028182
PMCID: PMC3213522
PMID: 22091101
The molecule of the title compound, C10H11N3O3, adopts an all-trans conformation and is approxomately planar, the largest deviation from the least-squares plane through all non-H atoms being 0.261 (1) Å. An intramolecular O—H⋯N hydrogen bond occurs. In the crystal, the molecules are packed into layers lying parallel to the ab plane by π-stacking interactions between the benzene ring of one molecule and the C—N bond of the oxime group of another molecule; the shortest intermolecular C⋯C separation within the layer is 3.412 (1) Å. The layers are connected by O—H⋯O and N—H⋯O hydrogen bonds.
doi:10.1107/S1600536811045818
PMCID: PMC3238939
PMID: 22199788
In the title compound, [Ni(SO4)(C12H8N2)2]·C4H10O2, the NiII ion is six-coordinated by four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from an O,O′-bidentate sulfate anion, resulting in a distorted octahedral geometry for the metal ion. The dihedral angle between the two chelating N2C2 groups is 83.82 (12)°. The NiII ion, the S atom and the mid-point of the central C—C bond of the butane-2,3-diol solvent molecule lie on a twofold rotation axis. In the crystal, the complex molecules and solvent molecules are held together by pairs of symmetry-related Odiol—H⋯Osulfate hydrogen bonds involving the uncoordinating O atoms of the sulfate ions. The solvent molecule is disordered over two sets of sites with site occupancies of 0.450 (9) and 0.550 (9).
doi:10.1107/S1600536812047241
PMCID: PMC3588765
PMID: 23468730
The title mononuclear nickel(II) complex, [Ni(C9H9ClNO2)2]·H2O, was obtained by the reaction of 5-chlorosalicylaldehyde, 2-aminoethanol and nickel nitrate in methanol. The Ni atom is six-coordinated by two phenolate O, two imine N and two hydroxy O atoms from two crystallographically different Schiff base ligands, forming an octahedral geometry. In the crystal, molecules are linked through intermolecular O—H⋯O and O—H⋯Cl hydrogen bonds.
doi:10.1107/S1600536811031680
PMCID: PMC3200802
PMID: 22058855
The title compound, C15H16N4S, exists in the Z conformation with the thionyl S atom lying cis to the azomethine N atom. The shortening of the N—N distance [1.3697 (17) Å] is due to extensive delocalization with the pyridine ring. The hydrazine–carbothioamide unit is almost planar, with a maximum deviation of 0.013 (2) Å for the amide N atom. The stability of this conformation is favoured by the formation of an intramolecular N—H⋯N hydrogen bond. The packing of the molecules involves no classical intermolecular hydrogen-bonding interactions; however, a C—H⋯π interaction occurs.
doi:10.1107/S1600536811045739
PMCID: PMC3238862
PMID: 22199715
In the title complex, [Ni(CH3COO)(C28H26N4)]ClO4, the NiII atom is coordinated by two imine N atoms and two pyridine N atoms of the N-[(E)-1-(6-methyl-2-pyridyl)methylidene]-2-(2-[(E)-1-(6-methyl-2-pyridyl)methylideneamino]phenethyl)aniline donor ligand and two O atoms of the acetate ion in a distorted octahedral coordination. The average Ni—N and Ni—O bond lengths are 2.131 (13) and 2.098 (11) Å, respectively. An intramolecular N—H⋯O interaction occurs. Relatively weak intermolecular C—H⋯O interactions between the ligands and the ClO4
− ions result in a chain extending along the b axis.
doi:10.1107/S1600536810034446
PMCID: PMC2983324
PMID: 21587350
The title compound, [ZnCl2(C10H12N4O2)]·0.5H2O, was readily prepared by the reaction between ZnCl2 and 2-hydroxyimino-N′-[1-(2-pyridyl)ethylidene]propanohydrazide. The Zn atom has a distorted trigonal–bipyramidal geometry with two Cl atoms and one azomethine N atom in the equatorial plane and one pyridine N atom and one amide O atom in the axial positions. In the crystal structure, complex molecules are connected in pairs by N—H⋯Cl hydrogen bonds, formed between the amide NH of one molecule and the Cl atom of a neighboring one. Molecular pairs are connected by hydrogen bonds involving the uncoordinated water molecule, which lies on a twofold axis.
doi:10.1107/S160053680706535X
PMCID: PMC2960173
PMID: 21201313