| Autor: |
Shishkina, Svitlana V., Petrushov, Lidiya A., Burian, Kateryna O., Fedosov, Andrii I., Ukrainets, Igor V. |
| Předmět: |
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| Zdroj: |
Acta Crystallographica Section E: Crystallographic Communications; Oct2020, Vol. 76 Issue 10, p1657-sup-4, 8p |
| Abstrakt: |
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 O--H OO(SO2) link the molecules into zigzag chains extending along the b-axis direction. Neighbouring chains are linked by both O--H O Cl and O--H O Cl interactions. A Hirshfeld surface analysis was used to compare different types of intermolecular interactions, giving contributions of O--H O = 42.0%, C H/H C = 17.3%, Cl H/H Cl = 14.2%, H H = 11.1%. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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