16-(4-Cyanobenzylidene)-17-oxoandrost-5-en-3beta-ol.
In the title compound, 4-(3beta-hydroxy-17-oxoandrost-5-en-16-ylidenemethyl)benzonitrile, C(27)H(31)NO(2), rings A and C of the steroid nucleus are in chair conformations. The central six-membered ring B is in an 8beta,9alpha-half-chair conformation, while the five-membered ring D adopts a 13beta,14alpha-half-chair conformation. The cyanobenzylidene moiety has an E configuration with respect to the carbonyl group at position C17. The dihedral angle between the planes of the steroid nucleus and the cyanobenzylidene moiety is 22.61 (15) degrees. Intermolecular O-H.N hydrogen bonds formed between the hydroxyl group of the steroid and the N atom of the cyanobenzylidene moiety of symmetry-related molecules link the steroid molecules into chains which run parallel to the b axis.
Hema
R
R
Department of Physics, Bharathidasan University, Tiruchirappalli 620 024, India.
Parthasarathi
V
V
Thamotharan
S
S
Dubey
S
S
Jindal
D P
DP
D000737:Androstenols / Q000737:chemistry*; D001597:Benzylidene Compounds / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure
C474731:16-(4-Cyanobenzylidene)-17-oxoandrost-5-en-3-ol; D000737:Androstenols; D001597:Benzylidene Compounds