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

Abstract

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].

Crystal structure of butyl 2-(3,5-dimethyl-1,1-dioxido-2H-1,2,6-thiadiazin-4-yl)benzoate, C16H20N2O4S

“…We have reported the crystal structure of 3,5-dimethyl based analog with an aromatic ring at position 4 of the thiadiazine ring containing an ethyl ester functional group [2]. Herein we report the crystal structure of the butyl ester derivative from the same class in the broader family of 1,2,6-thiadiazine-1,1-dioxides.…”