Title of article :
Methyl 5-chloro-4-hy­dr­oxy-2,2-dioxo-1H-2λ6,1-benzo­thia­zine-3-carboxyl­ate: structure and Hirshfeld surface analysis
Author/Authors :
Shishkina, Svitlana V. SSI Institute for Single Crystals' National Academy of Science of Ukraine, Ukraine , Petrushova, Lidiya A. National University of Pharmacy, Ukraine , Burian, Kateryna O. National University of Pharmacy, Ukraine , Fedosov, Andrii I. National University of Pharmacy, Ukraine , Ukrainets, Igor V. National University of Pharmacy, Ukraine
Pages :
8
From page :
1
To page :
8
Abstract :
The title compound, C10H8ClNO5S, which has potential analgesic activity, crystallizes in space group P21/n. The benzo­thia­zine ring system adopts an inter­mediate form between sofa and twist-boat conformations. The coplanarity of the ester substituent to the bicyclic fragment is stabilized by an O—H⋯O intra­molecular hydrogen bond. In the crystal, hydrogen bonds of type N—H⋯O(SO2) link the mol­ecules into zigzag chains extending along the b-axis direction. Neighbouring chains are linked by both O—H⋯Cl and C—H⋯Cl inter­actions. A Hirshfeld surface analysis was used to compare different types of inter­molecular inter­actions, 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%.
Keywords :
benzo­thia­zine derivative , Hirshfeld surface analysis , crystal structure , mol­ecular structure
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2020
Full Text URL :
Record number :
2622865
Link To Document :
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