21 research outputs found
Data for: Di-μ-oxidovanadium(V) di-nuclear complexes: Synthesis, X-ray, DFT modeling, Hirshfeld surface analysis and Antioxidant activity
No full textThe added data contain Cif and CheckCif files
2-(Naphthalen-1-ylamino)cyclohexanol
No full textThe title compound, C16H19NO, was synthesized under solvent-free conditions by reaction of 7-oxa-bicyclo[4.1.0]heptane and naphthalen-1-amine in the presence of Ca(CF3COO)2 as catalyst. The cyclohexane ring adopts a chair conformation. In the crystal, molecules are linked by intermolecular N—H...O hydrogen bonds and C—H...π interactions into chains parallel to the c axis
(5R)-5-[(1R)-2,2-Dichloro-1-methylcyclopropyl]-2-methylcyclohex-2-en-1-one
No full textThe title compound, C11H14Cl2O, was synthesized by the reaction of a dichloromethane solution of (R)-carvone and potassium tert-butanolate in the presence of a catalytic amount of benzyltriethylammonium chloride in chloroform. The cyclohexene ring adopts a half-boat conformation. The cyclopropyl ring is unsymmetrical, the shortest C—C bond being distal to the alkyl-substituted C atom. The crystal packing is stabilized only by van der Waals interactions
[(1R,4S)-(+)-3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-olato-κ2O2,O3](η4-norbornadiene)rhodium(I)
No full textIn the title complex molecule, [Rh(C17H19O2)(C7H8)], the rhodium(I) metal centre is coordinated by the O atoms of a benzoylcamphorate anion and the C=C bonds of the norbornadiene molecule into a slightly distorted square-planar coordination geometry. The six-membered chelate ring is essentially planar (r.m.s. deviation = 0.0378 Å) and forms a dihedral angle of 31.67 (11)° with the phenyl ring
Crystal structure of (1S,2R,4S)-1-((phenylamino)methyl)-4-(prop-1-en-2-yl)cyclohexane-1,2-diol), C16H23NO2
No full textC16H23NO2, orthorhombic, P2(1)2(1)2(1) (no. 19), a = 5.9637(3) angstrom, b = 8.8317(5) angstrom, c = 27.809(1) angstrom, V = 1464.7 angstrom(3), Z = 4, R-gt(F) = 0.026, wR(ref)(F-2) = 0.040, T = 150 K
(S)-4-(2-Chloropropan-2-yl)-1-(2,2,2-trichloroethyl)cyclohexene
No full textThe title compound, C11H16Cl4, was synthesized by the reaction of (1S)-β-pinene with triethylamine in the presence of ZnCl2. The cyclohexene ring assumes a half-boat conformation. The crystal packing is governed only by van der Waals interactions. The structure, which has been refined in P21, presents a striking P21/m pseudosymmetry
rac-Ethyl (2Z)-3-{2-[(Z)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino}but-2-enoate
No full textThe asymmetric unit of the title compound, C18H30N2O4, contains two independent molecules. In each molecule, the cyclohexane ring adopts a chair conformation with equatorial orientation of the substituents, and the conformation is stabilized by two intramolecular N—H...O hydrogen bonds, forming rings of S(6) graph-set motif. One ethoxy group and one ethyl group are disordered over two sets of sites with refined occupancy ratios of 0.704 (2):0.296 (2) and 0.505 (3):0.495 (3), respectively. In the crystal, a weak intermolecular C—H...O hydrogen interaction is observed, involving the O atom of the major component of the disordered ethoxy group
Crystal structure of (1S,2R,4S)-1-[(morpholin-4-yl)-methyl]-4-(prop-1-en-2-yl)cyclohexane-1,2-diol
No full textThe asymmetric unit of the title compound, C14H25NO3, contains two independent molecules with similar geometry. The morpholine and cyclohexane rings of both molecules adopt a chair conformation. Intramolecular O - H⋯N hydrogen bonds are observed. In the crystal, molecules are linked by O - H⋯O hydrogen bonds into chains parallel to the [101] direction. The chains are further connected through C - H⋯O hydrogen bonds forming undulating layers parallel to the (1 ̄01) plane. The absolute configuration was assigned by reference to an unchanging chiral centre in the synthetic procedure
(1S,2R,4S)-1-[(Benzylamino)methyl]-4-(prop-1-en-2-yl)cyclohexane-1,2-diol
No full textThe title compound, C17H25NO2, was synthesized by epoxidation of the double bond of (S)-perillyl alcohol [(S)-4-isopropenyl-1-cyclohexenylmethanol], followed by the oxirane ring-opening by benzylamine using [Ca(CF3CO2)2] as catalyst under solvent-free condition at 313 K. The molecular conformation is stabilized by an intramolecular O—H...N hydrogen bond. In the crystal, molecules are linked by intermolecular N—H...O hydrogen bonds, forming chains parallel to the a axis, which are further connected by O—H...O hydrogen bonds into sheets parallel to (010). The absolute configuration of the molecule is known from the synthetic procedure
Data for: Di-μ-oxidovanadium(V) di-nuclear complexes: Synthesis, X-ray, DFT modeling, Hirshfeld surface analysis and Antioxidant activity
No full textThe added data contain Cif and CheckCif files.THIS DATASET IS ARCHIVED AT DANS/EASY, BUT NOT ACCESSIBLE HERE. TO VIEW A LIST OF FILES AND ACCESS THE FILES IN THIS DATASET CLICK ON THE DOI-LINK ABOV
