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2-Methylsulfanyl-9H-1,3,4-thiadiazolo[2,3-b]quinazolin-9-one

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Author(s): Adel S. El-Azab | Alaa A.-M. Abdel-Aziz | Ibrahim A. Al-Swaidan | Seik Weng Ng | Edward R. T. Tiekink

Journal: Acta Crystallographica Section E
ISSN 1600-5368

Volume: 68;
Issue: 7;
Start page: o2134;
Date: 2012;
Original page

ABSTRACT
In the title compound, C10H7N3OS2, 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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Tangokurs Rapperswil-Jona

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