Steroidal Wheel-and-Axle Host Type Molecules: Insights from Awkward Shape, Conformation, Z鈥?> 1 and Packing

详细信息    查看全文

• 作者：Pedro I. Ramirez-Montes ; Mar铆a E. Ochoa ; Rosa Santillan ; Daniel J. Ram铆rez ; Norberto Farf谩n
• 刊名：Crystal Growth & Design
• 出版年：2014
• 出版时间：September 3, 2014
• 年：2014
• 卷：14
• 期：9
• 页码：4681-4690
• 全文大小：573K
• ISSN：1528-7505

文摘

The synthesis and crystal structure of three new molecular rotors derived from levonorgestrel and norethisterone are reported. The conformation, close contacts, and shape characteristics of these molecules exhibiting Z鈥?= 2 and the inclusion of solvent molecules were analyzed together with the crystal structures of parent molecules retrieved from the Cambridge Structural Database. For the set of estranes studied, we confirmed that whenever an alternative conformer cannot satisfy the crystallographic symmetry, a second molecule is incorporated in the asymmetric unit resulting in conformational isomorphism (Z鈥?> 1). The shape of these molecules could make them interesting as potential hosts.