Structure of Fluorometholone

Fluorometholone 의 구조

  • Young Ja Park (Department of Chemistry, Sook Myung Women's University) ;
  • Mee Youn Lee (Department of Chemistry, Sook Myung Women's University) ;
  • Sung Il Cho (Department of Chemical Engineering, Seoul City University)
  • 박영자 (숙명여자대학교 이과대학 화학과) ;
  • 이미연 (숙명여자대학교 이과대학 화학과) ;
  • 조성일 (서울시립대학교 공과대학 화학공학과)
  • Published : 1992.12.20

Abstract

Fluorometholone $(C_{22}H_{29}FO_4)$, M.W. = 376.5, monoclinic, $P2_1$, a = 6.410(4), b = 13.431(3), c = 10.996(3)$\AA$, $\beta$ = 92.81$(3)^{\circ}$, Z = 2, F(000) = 404, T = 292K, $\lambda$(Mo-$K_\alpha$) = 0.7107$\AA$, $\mu$ = 0.57$cm^{-1}$, $D_c$ = 1.32 $g/cm^3$, $D_m$ = 1.31 $g/cm^3$ and final R = 0.032 for 1769 observed reflections. All bond lengths and angles are within normal limits. Ring A is almost planar, B ring has a highly symmetrical chair conformation and C ring is in a distorted chair conformation. Ring D is in a intermediate conformation between 13$\alpha$-14$\beta$-half-chair and 13$\alpha$-envelope. Torsion angle C(16)-C(17)-C(20)-O(20) of $-7.9^{\circ}$ is a lower value than those of $-31.9^{\circ}$ and $-16.5^{\circ}$ for 9-fluoro-6-methylprednisolone I and II respectively.

Fluorometholone $(C_{22}H_{29}FO_4)$, M.W. = 376.5, monoclinic, $P2_1$, a = 6.410(4), b = 13.431(3), c = 10.996(3)$\AA$, $\beta$ = 92.81$(3)^{\circ}$, Z = 2, F(000) = 404, T = 292K, $\lambda$(Mo-$K_\alpha$) = 0.7107$\AA$, $\mu$ = 0.57$cm^{-1}$, $D_c$ = 1.32 $g/cm^3$, $D_m$ = 1.31 $g/cm^3$. 최종 R값은 1769개의 측정가능 회절반점들에 대하여 0.032 이었다. A 고리는 평면을 이루고 있으며, B 고리는 대칭성이 좋은 의자형이고, C 고리는 약간 찌그러진 의자형이다. D 고리는 13$\alpha$-14$\beta$-half-chair와 13$\alpha$-envelope의 중간형태이다. C(16)-C(17)-C(20)-O(20) torsion angle 값이 $-7.9^{\circ}$로 9-fluoro-6-methylprednisolone 분자 I 와 II의 $-31.9^{\circ}$$-16.5^{\circ}$보다 낮은 값을 보여준다.

Keywords

References

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