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2-(3,5-Dimethyl-1,1-dioxo-2H-1λ(6),2,6-thiadiazin-4-yl)benzoic acid
In the title molecule, C(12)H(12)N(2)O(4)S, 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 site...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2012
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470217/ https://www.ncbi.nlm.nih.gov/pubmed/23125661 http://dx.doi.org/10.1107/S1600536812037026 |
| Sumario: | In the title molecule, C(12)H(12)N(2)O(4)S, 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]. |
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