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Crystal structure of 3-benzyl-sulfanyl-6-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.

ABSTRACT: In the title compound, C14H11N5OS2, the triazolo-thia-diazole system is essentially planar (r.m.s. deviation = 0.002?Å) and makes dihedral angles of 6.33?(12) and 42.95?(14)° with the planes of the oxazole and phenyl rings, respectively. In the crystal, face-to-face ?-? inter-actions are observed between the thia-diazole and oxazole rings [centroid-centroid distance = 3.4707?(18)?Å], leading to columns along [010].

SUBMITTER: Vaarla K

PROVIDER: S-EPMC4645033 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of 3-benzyl-sulfanyl-6-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.

Vaarla Krishnaiah K Rao V Rajeswar VR Akkurt Mehmet M

Acta crystallographica. Section E, Crystallographic communications 20151003 Pt 11

In the title compound, C14H11N5OS2, the triazolo-thia-diazole system is essentially planar (r.m.s. deviation = 0.002 Å) and makes dihedral angles of 6.33 (12) and 42.95 (14)° with the planes of the oxazole and phenyl rings, respectively. In the crystal, face-to-face π-π inter-actions are observed between the thia-diazole and oxazole rings [centroid-centroid distance = 3.4707 (18) Å], leading to columns along [010]. ...[more]

PMID: 26594538

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