Molecular and crystal structure of sophoridine

The three-dimensional structure of the alkaloid sophoridine C₁₅H₂₄ON₂ has been studied by x-ray structural analysis; the parameters of the elementary cell are: a=5.458, b=10.640, c=11.989 Å; =99.7°; z=2; space group P2₂. The experimental set was obtained on a Sinteks-P2₁ diffractometer, the structure being determined by the direct method with refinement by the method of least squares in the anisotropic approximation taking the hydrogen atoms into account to R=0.059. Ring A has the chair conformation, rings B and C the boat conformation, and ring D the half-chair conformation. The linkages of rings A/B, B/C, and C/D are trans, and of B/C cis. There are no shortened intermolecular contacts in the crystal structure of the compound.Institute of Bioorganic Chemistry, Academy of Sciences of the Uzbek SSR, Tashkent. Institute of Crystallography, Academy of Sciences of the USSR, Moscow. V. I. Lenin Tashkent State University. Translated from Khimiya Prirodnykh Soedinenii, No. 3, pp. 355–362, May–June, 1979.