Diosgenin-3,6-dione: second polymorph in space group P212121

The title steroid, [(25R)-spirost-4-en-3,6-dione, C27H38O4], is obtained by oxidation of diosgenin, using the Jones reagent (CrO3/H2SO4). The crystal structure was previously reported in space group P212121, but nonetheless with the wrong absolute configuration and omitting positions for H atoms [Ra...

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Bibliographic Details
Main Authors: Gabriel Guerrero-Luna, Jaquelin Reyes Melchor, Sylvain Bernès, María-Guadalupe Hernández-Linares
Format: Article
Language:English
Published: International Union of Crystallography 2020-09-01
Series:IUCrData
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Online Access:http://scripts.iucr.org/cgi-bin/paper?S2414314620012006
Description
Summary:The title steroid, [(25R)-spirost-4-en-3,6-dione, C27H38O4], is obtained by oxidation of diosgenin, using the Jones reagent (CrO3/H2SO4). The crystal structure was previously reported in space group P212121, but nonetheless with the wrong absolute configuration and omitting positions for H atoms [Rajnikant et al. (2000). Mol. Cryst. Liq. Cryst. Sci. Technol. Sect. C, 12, 101–110]. The diffraction data set reported herein is for a second polymorph in the same space group, as evidenced by simulated powder patterns. Both forms are characterized by a similar orthorhombic unit cell, and a similar arrangement of the molecules in the crystal structure. However, the conformation of the A/B rings in the steroid nucleus is slightly modified, leading to the observed polymorphism.
ISSN:2414-3146