Crystal structure and Hirshfeld surface analysis of 3-methyl-4-oxo-<i>N</i>-phenyl-3,4-dihydroquinazoline-2-carbothioamide
Nasiba PirnazarovaQarshi State University, Kochabog str. 17, Qarshi 180119, UzbekistanUbaydullo YakubovS. Yunusov Institute of Chemistry of Plant Substances, Academy of Sciences of Uzbekistan, Mirzo Ulugbek str. 77, Tashkent 100170, UzbekistanSevara AllabergenovaS. Yunusov Institute of Chemistry of Plant Substances, Academy of Sciences of Uzbekistan, Mirzo Ulugbek str. 77, Tashkent 100170, UzbekistanAkmaljon TojiboevNational University of Uzbekistan named after Mirzo Ulugbek 100174, University Str. 4, Olmazor District, Tashkent, UzbekistanK. K. TurgunovS. Yunusov Institute of Chemistry of Plant Substances, Academy of Sciences of Uzbekistan, Mirzo Ulugbek str. 77, Tashkent 100170, UzbekistanBurkhon ElmuradovS. Yunusov Institute of Chemistry of Plant Substances, Academy of Sciences of Uzbekistan, Mirzo Ulugbek str. 77, Tashkent 100170, Uzbekistan
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The asymmetric unit of the title compound, C 16 H 13 N 3 OS, comprises two molecules ( A and B ) with similar conformations that differ mainly in the orientation of the phenyl group relative to the rest of the molecule, as expressed by the C thioamide —N thioamide —C phenyl —C phenyl torsion angle of 49.3 (3)° for molecule A and of 5.4 (3)° for molecule B . In the crystal, two intermolecular N—H...N hydrogen bonds lead to the formation of a dimer with R 2 2 (10) graph-set notation. A Hirshfeld surface analysis revealed that H...H interactions are the most important intermolecular interactions, contributing 40.9% to the Hirshfeld surface.
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