X-ray structure analysis of 3,11,17-trioxoandrostane-5 alpha-carbonitrile and of 17 alpha-ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile.
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.
Donati
D
D
Dipartimento di Chimica Organica, Siena, Italy.
Ginanneschi
M
M
Chelli
M
M
Rapi
G
G
Papini
A M
AM
D000731:Androstanes / Q000737:chemistry*; D000736:Androstenes / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D014961:X-Ray Diffraction
D000731:Androstanes; D000736:Androstenes; C078509:17-ethoxycarbonyloxy-3-oxoandrost-4-ene-17-carbonitrile; C078510:3,11,17-trioxoandrostane-5-carbonitrile