X-ray structural insights and computational analysis of the compound
Syed Nizamuddin1,2, T N Mahadeva Prasad3, N R Sreenatha4
1Department of PG Studies and Research in Industrial Chemistry Kuvempu University, Shivamogga Karnataka India.
Abstract:
The title compound, C15H19N5OS, crystallizes in the monoclinic crystal system, space group P21/c. The mol-ecule adopts a non-planar geometry. A significant feature of the structure is the puckered six-membered morpholine ring, which adopts a chair conformation. In the crystal, mol-ecules are linked through inter-molecular N-H⋯S hydrogen bonds, forming inversion-related dimers with an R 2 2(8) ring motif. A Hirshfeld surface analysis was undertaken to qu-antify the inter-molecular inter-actions that influence the crystal packing.
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