The asymmetric unit of the title compound, C(16)H(13)N(3)OS, comprises two mol-ecules (A and B) with similar conformations that differ mainly in the orientation of the phenyl group relative to the rest of the mol-ecule, as expressed by the C(thio-amide)-N(thio-amide)-C(phen-yl)-C(phen-yl) torsion angle of 49.3â (3)° for mol-ecule A and of 5.4â (3)° for mol-ecule B. In the crystal, two inter-molecular N-Hâ¯N hydrogen bonds lead to the formation of a dimer with R (2) (2)(10) graph-set notation. A Hirshfeld surface analysis revealed that Hâ¯H inter-actions are the most important inter-molecular inter-actions, contributing 40.9% to the Hirshfeld surface.
Crystal structure and Hirshfeld surface analysis of 3-methyl-4-oxo-N-phenyl-3,4-di-hydro-quinazoline-2-carbo-thio-amide.
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作者:Pirnazarova Nasiba, Yakubov Ubaydullo, Allabergenova Sevara, Tojiboev Akmaljon, Turgunov Kambarali, Elmuradov Burkhon
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2022 | 起止号: | 2022 Jan 1; 78(Pt 1):47-50 |
| doi: | 10.1107/S2056989021013116 | ||
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