2-溴倍氯米松二丙酸酯
2-Bromo-beclometasone dipropionate.
作者信息
Ketuly Kamal Aziz, A Hadi A Hamid, Ng Seik Weng
机构信息
Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 11;65(Pt 8):o1822. doi: 10.1107/S1600536809025987.
In the crystal structure of 2-bromo-beclometasone dipropionate [systematic name: (8S,9R,10S,11S,13S,14S,16S,17R)-2-bromo-9α-chloro-11-hydr-oxy-10,13,16-trimethyl-3-oxo-17-[2-(propion-yloxy)acet-yl]-6,7,8,9,10,11,12,13,14,15,16,17-dodeca-hydro-3H-cyclo-penta-[a]phenanthren-17-yl propionate], C(28)H(36)BrClO(7), the six-membered ring with the 1,4-diene-3-one composition is planar (r.m.s. deviations = 0.03 and 0.04 Å for the two independent mol-ecules), whereas the remaining six-membered rings have chair conformations. Each of the independent mol-ecules self-associates via O-H⋯O(propionate) hydrogen bonding, generating a supra-molecular chain running along the b axis. The crystal is twinned, with the monoclinic unit cell emulating an orthorhomic crystal system; the major twin component constitutes approximately 60%.
在二丙酸倍氯米松[系统名称：(8S,9R,10S,11S,13S,14S,16S,17R)-2-溴-9α-氯-11-羟基-10,13,16-三甲基-3-氧代-17-[2-(丙酰氧基)乙酰基]-6,7,8,9,10,11,12,13,14,15,16,17-十二氢-3H-环戊并[a]菲-17-基丙酸酯]的晶体结构中，具有1,4-二烯-3-酮组成的六元环是平面的（两个独立分子的均方根偏差分别为0.03和0.04 Å），而其余的六元环具有椅式构象。每个独立分子通过O-H⋯O(丙酸酯)氢键自缔合，形成沿b轴延伸的超分子链。该晶体为孪晶，单斜晶胞模拟正交晶系；主要孪晶组分约占60%。
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