Korean Journal of Crystallography (한국결정학회지)
- Volume 4 Issue 1
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- Pages.6-10
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- 1993
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- 1229-8700(pISSN)
The Crystal Structure of Fluoxymesterone, $C_{20}H_{29}FO_3$
Fluoxymesterone, $C_{20}H_{29}FO_3$ 의 결정구조
- Kim, Ui-Seong (Dept.of Chemical Engineering, University of Seoul) ;
- Park, Gwon-Il (Dept.of Chemical Engineering, University of Seoul) ;
- Jo, Seong-Il
- Published : 1993.06.01
Abstract
11 β ,17 β -dihydroxy-9a-fluoro-l7a-methyl androst-4-en-3-one (Fluoxymesterone), CgoH29 FO,, orthorhombic, P2,2,2,, a=13.468(5) A, b= 19.554 (2)A, c=6.578(9)A, a=b=r=90˚, A (CuKa)=1.5406 A , Dm=1.289cm-3, Dc=1.299cm-3 and Z=4 at T=298k. The structure was solved by direct method using seminvariants of ggg Parity group and refined by the full-matrix least-square method, resulting model with reliability factor R=0.069 for 1098 unique reflection over 3σ . Ring A is an 1β-2a-half chair, 5 ring has a highly symmetrical chair conformation, C ring is in a distorted chair conformation and D ring is a 13aenveLope conformation. In the crystal structure, the molecules are packed with a hydrogen bond of 011-H23‥‥03(0.5+x, 1.5-y, 1.0-z) [1.94(9) A of H‥‥0.2.786(9)A of 0‥‥0 and 165(8) ˚ of
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