Crystal structure and synthesis of 17alpha-(5-chlorovaleroyloxy)-16beta-methylpregna-4,6-diene-3,20-dione.
C27H37O4Cl is orthorhombic, P2(1)2(1)2(1). The unit-cell dimensions at 293 K are a = 7.1388(15), b = 12.9836(14), c = 26.665(10)A, V = 2471.5(10)A3, Dx = 1.239 g/cm3, and Z = 4. The R value is 0.070 for 1458 observed reflections. The A, B, C and D rings occur in distorted envelope, distorted half-chair, chair, and envelope and a half-chair conformations. The molecules in the crystal are packed at the normal van der Waals distances.
Soriano-García
Manuel
M
Departamento de Bioestructura, Instituto de Química, UNAM, Circuito Exterior, Ciudad Universitaria, Coyoacán, México DF 04510, Mexico.
Ramírez
Elena
E
Bratoeff
Eugene
E
Cabeza
Marisa
M
Aguirre-Hernández
Gerardo
G
D000726:Androgen Antagonists / Q000138:chemical synthesis / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D008968:Molecular Conformation; D011282:Pregnenediones / Q000138:chemical synthesis / Q000737:chemistry*
C474140:17-(5-chlorovaleroyloxy)-16-methylpregna-4,6-diene-3,20-dione; D000726:Androgen Antagonists; D011282:Pregnenediones