Arshad Muhammad Nadeem, Khan Islam Ullah, Zia-Ur-Rehman Muhammad, Rafique H M, Holman K Travis
Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1823-4. doi: 10.1107/S1600536811024573. Epub 2011 Jun 25.
In the crystal structure of the title mol-ecule, C(13)H(15)NO(5)S, the S and N atoms of the thia-zine ring exihibit the maximum deviations from the least-squares plane of 0.3008 (6) and 0.3280 (7) Å, respectively. The ring therefore adopts a half chair conformation. The thia-zine ring is twisted by an angle of 13.29 (7)° with respect to the aromatic ring. The isopropyl substituent is oriented at a dihedral angle of 53.2 (12)° with respect to the thia-zine ring. An intra-molecular O-H⋯O hydrogen bond occurs. Inter-molecular hydrogen bonding is observed in the crystal structure.
在标题分子C(13)H(15)NO(5)S的晶体结构中,噻嗪环的S和N原子与最小二乘平面的最大偏差分别为0.3008 (6) Å和0.3280 (7) Å。因此,该环呈半椅构象。噻嗪环相对于芳香环扭转了13.29 (7)°。异丙基取代基相对于噻嗪环的二面角为53.2 (12)°。分子内存在O-H⋯O氢键。在晶体结构中观察到分子间氢键。