1.
Acta Crystallogr E Crystallogr Commun
; 76(Pt 10): 1657-1660, 2020 Oct 01.
Article
in English
| MEDLINE
| ID: mdl-33117584
ABSTRACT
The title compound, C10H8ClNO5S, which has potential analgesic activity, crystallizes in space group P21/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(SO2) 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%.