Ketuly Kamal Aziz, A Hadi A Hamid, Ng Seik Weng
Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 11;65(Pt 8):o1821. doi: 10.1107/S1600536809025975.
In the crystal structure of (8S,9R,10S,11S,13S,14S,16S,17R)-9α-bromo-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 monohydrate, C(28)H(37)BrO(7)·H(2)O, which has a 9α-Br atom in place of the 9α-Cl atom of monohydrated beclometasone dipropionate, one six-membered ring is planar (r.m.s. deviation = 0.02 Å) owing to its 1,4-diene-3-one composition, whereas the two other six-membered rings each have a chair conformation. The organic mol-ecule and water mol-ecules engage in hydrogen-bonding inter-actions, generating a helical chain running along the c axis of the ortho-rhom-bic unit cell.
在(8S,9R,10S,11S,13S,14S,16S,17R)-9α-溴-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-基丙酸酯一水合物C(28)H(37)BrO(7)·H(2)O的晶体结构中，其中一个9α-Br原子取代了二丙酸倍氯米松一水合物的9α-Cl原子，由于其1,4-二烯-3-酮组成，一个六元环是平面的（均方根偏差 = 0.02 Å），而另外两个六元环各自具有椅式构象。有机分子和水分子参与氢键相互作用，形成沿正交晶胞c轴延伸的螺旋链。
