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2-Methyl-sulfanyl-9H-1,3,4-thia-diazolo[2,3-b]quinazolin-9-one.

ABSTRACT: 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 mol-ecules are connected by pairs of C-H⋯O inter-actions between the ketone O and methyl H atoms. The dimeric aggregates are connected into a linear supra-molecular chain along the b axis via π-π inter-actions 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 inter-actions involving the endocyclic S atoms [S⋯S = 3.4607 (6) and 3.4792 (6) Å].

SUBMITTER: El-Azab AS 

PROVIDER: S-EPMC3393945 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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2-Methyl-sulfanyl-9H-1,3,4-thia-diazolo[2,3-b]quinazolin-9-one.

El-Azab Adel S AS   Abdel-Aziz Alaa A-M AA   Al-Swaidan Ibrahim A IA   Ng Seik Weng SW   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20120620 Pt 7

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 mol-ecules are connected by pairs of C-H⋯O inter-actions between the ketone O and methyl H atoms. The dimeric aggregates are connected into a linear supra-molecular chain along the b axis via π-π inter-actions occurring between the five-membered and benzene rings [centroid-centroid distan  ...[more]

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