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Updated: May 17, 2026

Preparation of Stable Bicyclic Aziridinium Ions and Their Ring-Opening for the Synthesis of Azaheterocycles
Published on: August 22, 2018
2-(3,5-Dimethyl-1,1-dioxo-2H-1λ(6),2,6-thia-diazin-4-yl)benzoic acid
Nilay Bhatt1, Pralav Bhatt, Thavendran Govender
1Chemistry Department, JJT University, Rajasthan, India.
Abstract:
In the title mol-ecule, C(12)H(12)N(2)O(4)S, the S atom of the thia-diazine 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 carb-oxy 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 mol-ecules into chains along [110].
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