The title compound, C(10)H(8)ClNO(5)S, which has potential analgesic activity, crystallizes in space group P2(1)/n. The benzo-thia-zine ring system adopts an inter-mediate form between sofa and twist-boat conformations. The coplanarity of the ester substituent to the bicyclic fragment is stabilized by an O-Hâ¯O intra-molecular hydrogen bond. In the crystal, hydrogen bonds of type N-Hâ¯O(SO(2)) link the mol-ecules into zigzag chains extending along the b-axis direction. Neighbouring chains are linked by both O-Hâ¯Cl and C-Hâ¯Cl inter-actions. A Hirshfeld surface analysis was used to compare different types of inter-molecular inter-actions, giving contributions of Oâ¯H/Hâ¯O = 42.0%, Câ¯H/Hâ¯C = 17.3%, Clâ¯H/Hâ¯Cl = 14.2%, Hâ¯H = 11.1%.
Methyl 5-chloro-4-hy-droxy-2,2-dioxo-1H-2λ(6),1-benzo-thia-zine-3-carboxyl-ate: structure and Hirshfeld surface analysis.
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作者:Shishkina Svitlana V, Petrushova Lidiya A, Burian Kateryna O, Fedosov Andrii I, Ukrainets Igor V
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2020 | 起止号: | 2020 Sep 18; 76(Pt 10):1657-1660 |
| doi: | 10.1107/S2056989020012566 | ||
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