Methyl 3-hydroxy-4-oxo-3,4-dihydro-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide monohydrate

In the molecule of the title compound, C10H9NO6S·H2O, the benzothiazine ring adopts an envelope conformation. An intramolecular N-H...O hydrogen bond results in the formation of a nonplanar five-membered ring which has a twisted conformation. In the crystal structure, intermolecular N-H...O, O-H...O...

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Published inActa crystallographica. Section E, Structure reports online Vol. 64; no. 10; p. o2045
Main Authors Waseeq Ahmad Siddiqui, Muhammad Shafiq, Islam Ullah Khan, M. Nawaz Tahir, Muhammad Nadeem Arshad
Format Journal Article
LanguageEnglish
Published International Union of Crystallography 01.10.2008
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Summary:In the molecule of the title compound, C10H9NO6S·H2O, the benzothiazine ring adopts an envelope conformation. An intramolecular N-H...O hydrogen bond results in the formation of a nonplanar five-membered ring which has a twisted conformation. In the crystal structure, intermolecular N-H...O, O-H...O and C-H...O hydrogen bonds link the molecules to form a three-dimensional network. There is a π-π contact between the benzene rings [centroid-centroid distance = 3.972 (2) Å].
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536808030948