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Crystal structure and Hirshfeld surface analysis of 3-methyl-4-oxo--phenyl-3,4-di-hydro-quinazoline-2-carbo-thio-amide. | LitMetric

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Article Abstract

The asymmetric unit of the title compound, CHNOS, comprises two mol-ecules ( and ) 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-N-C-C torsion angle of 49.3 (3)° for mol-ecule and of 5.4 (3)° for mol-ecule . In the crystal, two inter-molecular N-H⋯N hydrogen bonds lead to the formation of a dimer with (10) graph-set notation. A Hirshfeld surface analysis revealed that H⋯H inter-actions are the most important inter-molecular inter-actions, contributing 40.9% to the Hirshfeld surface.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8739201PMC
http://dx.doi.org/10.1107/S2056989021013116DOI Listing

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