Zia-Ur-Rehman Muhammad, Shahid Bilal, Siddiqui Hamid Latif, Ahmad Tanveer, Parvez Masood
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2761. doi: 10.1107/S1600536812036148. Epub 2012 Aug 23.
In the title mol-ecule, C(12)H(13)NO(5)S, the benzisothia-zole ring system is essentially planar (r.m.s. deviation = 0.0169 Å) as is the -C-C(=O)-O-C- sequence of atoms in the vicinity of the acetate group (r.m.s. deviation = 0.0044 Å). The mean plane of these atoms forms a dihedral angle of 88.41 (7)° with the benzisothia-zole ring system. In the crystal, weak C-H⋯O hydrogen bonds involving methyl-ene and methyne H atoms form R(4) (3)(20) graph-set motifs.
在标题分子C(12)H(13)NO(5)S中，苯并异噻唑环系基本呈平面状（均方根偏差 = 0.0169 Å），乙酸酯基团附近的 -C-C(=O)-O-C- 原子序列也是如此（均方根偏差 = 0.0044 Å）。这些原子的平均平面与苯并异噻唑环系形成88.41 (7)°的二面角。在晶体中，涉及亚甲基和次甲基H原子的弱C-H⋯O氢键形成R(4) (3)(20) 图形集 motif。
