RESUMO
The reaction of Ni(II) acetate tetra-hydrate with the ligand 4-phenyl-2-(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)hydrazinecarbo-thio-amide in a 2:1 molar ratio yielded the title compound, [Ni(C16H16N3S)2]·2C4H8O·H2O. The deprotonated ligands act as N,S-donors, forming five-membered metallacycles with the metal ion exhibiting a cis coordination mode unusual for thio-semicarbazone complexes. The Ni(II) ion is four-coordinated in a tetra-hedrally distorted square-planar geometry. Trans-arranged anagostic C-Hâ¯Ni inter-actions are observed. In the crystal, the complex mol-ecules are linked by water mol-ecules through N-Hâ¯O and O-Hâ¯S hydrogen-bonding inter-actions into centrosymmetric dimers stacked along the c axis, forming rings of graph-set R 4 (4)(12). Classical O-Hâ¯O hydrogen bonds involving the water and tetra-hydro-furan solvent mol-ecules as well as weak C-Hâ¯π inter-actions are also present.
RESUMO
In the crystal structure of the title compound, C11H15N3O2S, the C-N-N-C and C-N-C-C torsion angles involving the benzene ring and ethyl group are 11.91â (15) and 99.4â (2)°, respectively. An intra-molecular N-Hâ¯N hydrogen bond is observed. In the crystal, mol-ecules are linked via N-Hâ¯O and N-Hâ¯S hydrogen bonds into a three-dimensional hydrogen bonded network. Finally, the molecules show a herringbone arrangement when viewed along the a axis.
RESUMO
In the title compound, [Ni(C15H14N3O2S)2], the Ni(II) atom lies on a center of symmetry. The deprotonated ligands act as N,S-donors, forming five-membered metalla-rings. The Ni(II) atom is four-coordinated in a slightly distorted square-planar environment. In the crystal, the discrete complex mol-ecules are linked by weak N-Hâ¯O hydrogen bonds, generating chains along [110]. The chains are further connected via weak O-Hâ¯N inter-actions into a layered network extending parallel to (001).
RESUMO
The conformation of the title mol-ecule, C17H17N3S, is stabilized by an intra-molecular N-Hâ¯N hydrogen bond involving the azometinic group. The dihedral angle between the two aromatic rings is 36.49â (06)°. The non-aromatic ring of the tetra-lone substituent adopts a sofa conformation. In the crystal, mol-ecules are linked by pairs of N-Hâ¯S hydrogen bonds related via centres of symmetry, forming dimers.
RESUMO
In the title compound, C15H15N3O2S, the central C-N-N-C unit has an anti conformation [torsion angle = -170.17â (15)°]. The phenyl substituent is oriented perpendicular to this unit [dihedral angle of 89.2â (1)°], whereas the substituted ring is rotated out of this plane by only 18.86â (17)°. In the crystal, mol-ecules are linked by pairs of N-Hâ¯S hydrogen bonds into inversion dimers that are further connected via N-Hâ¯O and O-Hâ¯S hydrogen bonds into a three-dimensional network.
RESUMO
There are two independent mol-ecules in the asymmetric unit of the title compound, C12H15N3S, both of which display disorder of several C atoms in the N-bound ring (occupancy ratios of 0.75:0.25 in the first independent mol-ecule and 0.50:0.50 in the second) with the methyl H atoms also being disordered in the first mol-ecule (occupancy ratio of 0.70:0.30). The planes of the benzene ring and the N-N-C-N fragment make dihedral angles of 12.92â (14)° in the first independent mol-ecule and 7.60â (13)° in the second. In the crystal, mol-ecules are linked by weak N-Hâ¯S hydrogen bonds into chains along the a-axis direction. The crystal packing ressembles a herringbone arrangement.
RESUMO
In the title compound, C9H11N3S, there is an intra-molecular O-Hâ¯O hydrogen bond involving the OH group and the adjacent methoxy O atom. The mol-ecule is essentially planar, with the maximum deviation from the mean plane of the non-H atoms being 0.1127â (14)â Å for the methyl C atom. In the crystal, mol-ecules are connected via centrosymmetric pairs of N-Hâ¯S and O-Hâ¯O hydrogen bonds into a two-dimensional network parallel to (10-3).
RESUMO
The reaction of 1-amino-anthraquinone with 7,7',8,8'-tetra-cyano-quinodimethane yielded the title charge-transfer complex, C(14)H(9)NO(2)·C(12)H(4)N(4). The mol-ecules have maximum deviations from the mean planes through the non-H atoms of 0.0769â (14)â Å for an oxo O atom and 0.1175â (17)â Å for a cyano N atom, respectively. The dihedral angle between the two planes is 3.55â (3)°. In the crystal, mol-ecules are stacked into columns along the a-axis direction. Pairs of N-Hâ¯N and N-Hâ¯O inter-actions connect the mol-ecules perpendicular to the stacking direction. Additionally, an intra-molecular N-Hâ¯O hydrogen-bond inter-action is observed for 1-amino-anthraquinone.
RESUMO
The mol-ecular structure of the title compound, C(11)H(13)N(3)S, is not planar: the maximum deviation from the mean plane of the non-H atoms is 0.521â (2)â Å for an aliphatic C atom, which corresponds to an envelope conformation for the non-aromatic ring. The hydrazinecarbothio-amide substituent and the benzene ring have maximum deviations from the mean planes through the non-H atoms of 0.0288â (16) and 0.0124â (27)â Å, respectively, and the dihedral angle between the two planes is 8.84â (13)°. In the crystal, mol-ecules are linked into chains along [1[Formula: see text]0] by pairs of N-Hâ¯S hydrogen bonds between mol-ecules related by centres of symmetry.
RESUMO
The title compound, C11H15N3OS, is a thio-semicarbazone derivative of the raspberry ketone rheosmin [systematic name: 4-(4-hy-droxy-phen-yl)butane-2-one]. The mol-ecule deviates from planarity, with the bridging C-C-C=N torsion angle equal to -101.3â (2)°. The maximum deviation from the mean plane of the non-H atoms of the thio-semicarbazone fragment [C=N-N-C(= S)-N] is 0.085â (5)â Å for the Schiff base N atom, and the dihedral angle between this mean plane and the aromatic ring is 50.31â (8)°. In the crystal, mol-ecules are linked by N-Hâ¯O, N-Hâ¯S and O-Hâ¯S hydrogen bonds, forming a three-dimensional structure, with the mol-ecules stacked along [011].
RESUMO
In the title solvate, C15H15N3O2S·CH3OH, the thio-semicarbazone mol-ecule is approximately planar; the maximum deviation from the mean plane is 0.4659â (14)â Å and the dihedral angle between the aromatic rings is 9.83â (8)°. This conformation is supported by an intra-molecular N-Hâ¯N hydrogen bond. In the crystal, the thio-semicarbazone mol-ecules are linked into dimers by pairs of N-Hâ¯S hydrogen bonds, thereby generating R 2 (2)(8) loops. The methanol solvent mol-ecule bonds to the thio-semicarbazone mol-ecule through a bifurcated O-Hâ¯(O,O) hydrogen bond and also accepts an O-Hâ¯O link from the thio-semicarbazone mol-ecule. Together, these links generate a three-dimensional network.