Crystal structure and Hirshfeld surface analysis of 3-methyl-4-oxo-N-phenyl-3,4-dihydroquinazoline-2-carbothioamide
2022 ◽
Vol 78
(1)
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Keyword(s):
The asymmetric unit of the title compound, C16H13N3OS, 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 Cthioamide—Nthioamide—Cphenyl—Cphenyl 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.
2018 ◽
Vol 74
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pp. 394-399
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Keyword(s):
2021 ◽
Vol 77
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pp. 466-472
2021 ◽
Vol 77
(6)
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pp. 672-676
2018 ◽
Vol 74
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pp. 1063-1066
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2018 ◽
Vol 74
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pp. 1857-1861
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2020 ◽
Vol 76
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pp. 1033-1037
2018 ◽
Vol 74
(11)
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pp. 1669-1673
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2021 ◽
Vol 77
(3)
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pp. 255-259
2019 ◽
Vol 75
(2)
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pp. 237-241
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Keyword(s):
2019 ◽
Vol 75
(1)
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pp. 81-85