2-(3,5-Dimethyl-1,1-dioxo-2H-1λ6,2,6-thiadiazin-4-yl)benzoic acid

2-(3,5-Dimethyl-1,1-dioxo-2H-1λ6,2,6-thiadiazin-4-yl)benzoic acid

In the title molecule, C12H12N2O4S, the S atom of the thiadiazine ring deviates by 0.5104 (4) Å from the mean plane of the other five atoms [largest deviation = 0.0623 (15) Å] giving a slightly distorted sofa conformat...

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Bibliographic Details
Main Authors: Nilay Bhatt, Pralav Bhatt, Thavendran Govender, Hendrik G. Kruger, Glenn E. M. Maguire
Format: Article
Language:English
Published: International Union of Crystallography 2012-10-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812037026
Description
Summary:In the title molecule, C12H12N2O4S, the S atom of the thiadiazine ring deviates by 0.5104 (4) Å from the mean plane of the other five atoms [largest deviation = 0.0623 (15) Å] giving a slightly distorted sofa conformation. The carboxy H atom was refined as disordered over two sets of sites with refined occupancies of 0.58 (2) and 0.48 (2). This corresponds to rotational disorder of the C=O and O—H groups about the attached C—C bond. In the crystal, O—H...O and N—H...O hydrogen bonds connect the molecules into chains along [110].
ISSN:1600-5368

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