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.
Departamento de Bioestructura, Instituto de Química, UNAM, Circuito Exterior, Ciudad Universitaria, Coyoacán, México DF 04510, Mexico.
Manuel
M
Soriano-García
Elena
E
Ramírez
Eugene
E
Bratoeff
Marisa
M
Cabeza
Gerardo
G
Aguirre-Hernández
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