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-H⋯O intra-molecular hydrogen bond. In the crystal, hydrogen bonds of type N-H⋯O(SO2) link the mol-ecules into zigzag chains extending along the b-axis direction. Neighbouring chains are linked by both O-H⋯Cl and C-H⋯Cl inter-actions. A Hirshfeld surface analysis was used to compare different types of inter-molecular inter-actions, giving contributions of O⋯H/H⋯O = 42.0%, C⋯H/H⋯C = 17.3%, Cl⋯H/H⋯Cl = 14.2%, H⋯H = 11.1%.
Highlights
The title compound, C10H8ClNO5S, which has potential analgesic activity, crystallizes in space group P21/n
The coplanarity of the ester substituent to the bicyclic fragment is stabilized by an O—HÁ Á ÁO intramolecular hydrogen bond
Hydrogen bonds of type N— HÁ Á ÁO(SO2) link the molecules into zigzag chains extending along the b-axis direction
Summary
Alkyl 4-hydroxy-2,2-dioxo-1H-26,1-benzothiazine-3-carboxylates are known to be highly active analgesics (Ukrainets et al, 2013). The influence of substituents at the cyclic nitrogen atom on the biological properties of these substances has been studied in detail (Ukrainets et al, 2013, 2017). Continuing our research in this direction, we have synthesized and studied a new compound of this class with a substituent on the benzene part of the molecule. The biological properties of benzothiazine derivatives are known to depend on their molecular structure (Ukrainets et al, 2019a,b). Such molecules can form polymorphic modifications possessing different biological activity, as was shown in our previous studies (Ukrainets et al, 2016a, 2018). Symmetry codes: (i) Àx þ 32; y þ 12; Àz þ 12; (ii) Àx þ 32; y À 12; Àz þ 32; (iii) x À 12; Ày À 12; z À 12
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