title: X-ray structure analysis of 3,11,17-trioxoandrostane-5 alpha-carbonitrile and of 17 alpha-ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile.
abstract: The crystal and molecular structures of the title compounds were determined by x-ray diffractometric analysis. Torsion angles and puckering parameters are reported for both compounds. In 1 the 5 alpha-cyano group influences the A-ring conformation. The carbonate ester 3 crystallizes in the monoclinic P2(1) space group with two molecules (I and II) in the asymmetric unit. The D-ring conformation is to some extent different between I and II.
authors.affiliation: Dipartimento di Chimica Organica, Siena, Italy.
authors.forename: D
authors.initials: D
authors.lastname: Donati
authors.forename: M
authors.initials: M
authors.lastname: Ginanneschi
authors.forename: M
authors.initials: M
authors.lastname: Chelli
authors.forename: G
authors.initials: G
authors.lastname: Rapi
authors.forename: A M
authors.initials: AM
authors.lastname: Papini
mesh_terms: D000731:Androstanes / Q000737:chemistry*; D000736:Androstenes / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D014961:X-Ray Diffraction
chemical_list: D000731:Androstanes; D000736:Androstenes; C078509:17-ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile; C078510:3,11,17-trioxoandrostane-5-carbonitrile