N-Valine-2-(3,5-dimethy-1,1-dioxido-2H-1,2,6-thiadiazin-4-yl)Benzamide: Synthesis, X-ray Structure and Hirshfeld Surface Analysis
Here we report the synthesis and crystal structure of the title compound N-valine-2-(3,5-dimethy-1,1-dioxido-2H-1,2,6-thiadiazin-4-yl)benzamide, C18H23N3O5S. The structure was determined by the single crystal X-ray diffraction method. The compound crystallized in a monoclinic Sohncke space C2 space group with cell values of a = 18.3096 (11) Å, b = 7.4858 (5) Å, c = 14.1452 (10) Å, β = 90.176 (2)° and with Z = 4. Crystal structure analysis showed that the molecule is not planar and the thiadiazine ring is essentially orthogonal to the plane passing through the aromatic ring. The dihedral angle between the thiadiazine ring and the aromatic ring is 93.72°. The carbonyl of the amide bond deviates from co-planarity of the aromatic ring by 60.03° which is perhaps due to the steric hindrance of the carbonyl group towards the thiadiazine ring. The sulfur atom deviates from the mean plane of the ring by 0.102 Å.
The synthesis of the title compound, N-valine-2-(3,5-dimethy-1,1-dioxido-2H-1,2,6-thiadiazin-4-yl)benzamide, and its structural characterization by means of single crystal X-ray diffraction and Hirshfeld surface analysis are reported.
KeywordsS,S-dioxides Thiadiazine Valine derivative X-ray structure Hirshfeld analysis
The authors wish to thank Dr Hong Su from the University of Cape Town for assistance with the data collection and refinement.
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