title: Molecular structure of a D-homoandrostanyl steroid derivative: single crystal and powder diffraction analyses.
abstract: The knowledge of the structure of a molecular crystal is frequently a prerequisite for the understanding of its solid state properties. Even though single-crystal diffractometry is the method of choice when it comes to crystal structure determination, methods using powder diffraction data become more and more competitive. There has been much recent interest in the development of a new generation of "direct-space" approaches that are particularly suited for molecular crystals. The crystallographic structure of a steroid derivative molecule (17,17-di-n-propyl-17a-aza-D-homo-5alpha-androstan-3beta-ol) was obtained in two independent ways: from a single crystal by laboratory X-rays and from a polycrystalline powder by high-resolution synchrotron powder diffraction. The molecule crystallizes in the orthorhombic space group P2(1)2(1)2(1) (a = 6.5346, b = 17.6006 and c = 19.6978 A). Hydrogen bonds form infinite chains of molecules parallel to the c axis.
authors.affiliation: Laboratoire de Cristallographie, UPR 5031, CNRS, 25 avenue des Martyrs, BP166, 30842 Grenoble, France. pauline.martinetto@grenoble.cnrs.fr
authors.forename: P
authors.initials: P
authors.lastname: Martinetto
authors.forename: P
authors.initials: P
authors.lastname: Terech
authors.forename: A
authors.initials: A
authors.lastname: Grand
authors.forename: R
authors.initials: R
authors.lastname: Ramasseul
authors.forename: E
authors.initials: E
authors.lastname: Dooryhée
authors.forename: M
authors.initials: M
authors.lastname: Anne
mesh_terms: D000732:Androstanols / Q000737:chemistry*; D003460:Crystallization; D008958:Models, Molecular; D015394:Molecular Structure; D033362:Powder Diffraction; D013256:Steroids / Q000737:chemistry*; D014961:X-Ray Diffraction
chemical_list: C522517:(17,17-di-n-propyl-17a-aza-D-homo-5alpha-androstan-3beta-ol); D000732:Androstanols; D013256:Steroids