The Crystal Structure of 3-Methoxy-estra-1,3,5(10)-triene-16α Br,17β OH

✍ Scribed by Dr. K. Szulzewsky; I. Seidel

• Publisher: John Wiley and Sons
• Year: 1979
• Tongue: English
• Weight: 522 KB
• Volume: 14
• Category: Article
• ISSN: 0232-1300
• DOI: 10.1002/crat.19790140915

✦ Synopsis

K. SZULZEWSKY, I. SEIDEL 1nst.itnt far Physikalische Chemie der Akademie der Wissenscheitcn der DDR, Berlin

The Crystal Structure of 3-Methoxy-estra-1,3,5( 10) -triene-16a Br,l7@ OH Dedicated to Professor Kate BOLL-DORNBERGER on the occasion of her 70th birthday.

The steroid 3-Methoxy-estra-1,3,5( lO)-triene-l6aBr,l7@OH crystallizes in the tetragons1 space group P 4, with the lattice constants a = b = 10,358(2) A, c = 32,591(5) A. The crystal structure contains two symmetry independent molecules. Significant differences for the two molecules occur in all the four rings of the steroid sceleton. The moleules are linked by hydrogen bridges, and Br ... Br contacts. The differences between the two symmetry independent molecules are interpreted as due to different intermolecular interaction.

Das Steroid :l-Methoxy-ostra-1,3,5( lO)-trien-l6aBr,l7/?OH kristallisiert in der tetragonttlen Raumgruppe P 4, mit den Gitterkonstanten a = b = 10,352(2) A, c = 32,591(5) A. Die Kristallstruktur enthiilt zwei symmetrieunttbhiingige Molekule. Signifikante Differenzen fur die beiden Molekiile treten in allen vier Ringen des Steroidgerustes auf. Die Molekule sind durch Wasserstoffbriickenbindungen und Br ... Br Kontakte verknupft. Die Unterschiede zwischen den beiden symmetrieunabhiingigen Molekulen werden auf Unterschiede in den intermolekularen Wechselwirkungen zuruckgefuhrt.