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2-Methylsulfanyl-9H-1,3,4-thiadiazolo[2,3-b]quinazolin-9-one
In the title compound, C(10)H(7)N(3)OS(2), the 16 non-H atoms are almost planar (r.m.s. deviation = 0.037 Å) and the S-bound methyl group is syn to the ketone O atom. In the crystal, centrosymmetrically related molecules are connected by pairs of C—H⋯O interactions between the ketone O and methyl...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393945/ https://www.ncbi.nlm.nih.gov/pubmed/22798810 http://dx.doi.org/10.1107/S1600536812026189 |
Sumario: | In the title compound, C(10)H(7)N(3)OS(2), the 16 non-H atoms are almost planar (r.m.s. deviation = 0.037 Å) and the S-bound methyl group is syn to the ketone O atom. In the crystal, centrosymmetrically related molecules are connected by pairs of C—H⋯O interactions between the ketone O and methyl H atoms. The dimeric aggregates are connected into a linear supramolecular chain along the b axis via π–π interactions occurring between the five-membered and benzene rings [centroid–centroid distance = 3.6123 (9) Å]. The chains assemble into layers in the bc plane via S⋯S interactions involving the endocyclic S atoms [S⋯S = 3.4607 (6) and 3.4792 (6) Å]. |
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