Abstract

7a-Aza-B-homostigmast-5-eno [7a, 7-d] tetrazole-3β-yl chloride (C29H47N4Cl) was synthesized for its crystallographic analysis and to investigate the role of intra- and intermolecular interactions in steroids. It crystallizes in the monoclinic space group C2 with unit cell parameters: a = 38.481(2), b = 6.661(3), c = 11.111 (6) A, β = 94.49 (4)o; λ( MoKα) = 0.71069 A, V = 2839(2) A3, and Z = 4. The structure has been solved by direct methods using X-ray diffraction techniques. The final reliability index for the computed structure is 0.0597 for 1252 observed reflections. Except the five-membered ring, all other rings of the steroid nucleus exist in non-planar conformations. The structure is stabilized by C–H···N intermolecular interaction.

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