26 research outputs found

    Computational Study of the Protonation of AlXH 2

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    Crystal structure of dichloro((S)-2-(anilinomethyl)-pyrrolidine)- palladium(II), Pd(Cl)2(C11H16N2)

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    C11H16Cl2N2Pd, orthorhombic, P212121 (no. 19), a = 11.246(2) Å, b = 12.222(2) Å, c = 19.637(4) Å, V= 2699.1 Å3, Z = 8, Rgt(F) = 0.027, wRref(F2) = 0.060, T =200 K. © by Oldenbourg Wissenschaftsverlag,

    Crystal structure of (2S,4S,7S)-7,7-dichloro-4-(1-chloro-1-methylethyl)- 1-(2,2,2-trichloroethyl)bicyclo[4.1.0]heptane, C12H16Cl6

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    C12H16Cl6, orthorhombic, P2 12121 (no. 19), a = 6.0742(3) Å, b = 9.7189(6) Å, c = 26.700(1) Å, V = 1576.2 Å3, Z = 4, Rgt(F) = 0.019, wRref(F2) = 0.045, T= 200 K. © by Oldenbourg Wissenschaftsverlag

    Crystal structure of (1S,2R,4S)-1-[(morpholin-4-yl)-methyl]-4-(prop-1-en-2-yl)cyclohexane-1,2-diol

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    The 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

    Crystal structure of (1S,2R,4S)-1-((phenylamino)methyl)-4-(prop-1-en-2-yl)cyclohexane-1,2-diol), C16H23NO2

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    C16H23NO2, orthorhombic, P2 12121 (no. 19), a = 5.9637(3) Å, b = 8.8317(5) Å, c = 27.809(1) Å, V = 1464.7 Å3, Z = 4, Rgt(F) = 0.026, wRref(F2) = 0.040, T= 150 K
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