Kant Rajni, Gupta Vivek K, Kapoor Kamini, Chib Renu, Shah Bhahwal A, Taneja Subhash C
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2594. doi: 10.1107/S1600536812033600. Epub 2012 Jul 28.
The title mol-ecule, C(18)H(24)O(12), has crystallographic 2/m symmetry with two acetate group located on a mirror plane. The H-Csp(3)-O-Csp(2) torsion angles characterizing orientation of the acetyl groups with respect to the cyclo-hexane ring are 0.0, 23.9 and -23.9°. The cyclo-hexane ring is in a chair conformation with all substituents in equatorial positions. In the crystal, mol-ecules are connected through C-H⋯O hydrogen bonds into a chain extending along the c axis.
标题分子C(18)H(24)O(12)具有晶体学2/m对称性,两个乙酸酯基团位于镜面上。表征乙酰基相对于环己烷环取向的H-Csp(3)-O-Csp(2)扭转角为0.0°、23.9°和-23.9°。环己烷环呈椅式构象,所有取代基均处于平伏位置。在晶体中,分子通过C-H⋯O氢键连接成沿c轴延伸的链。