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5-Ethyl-5-methyl-4-phenyl-5H-1,2,4-triazol-3(4H)-thione.

ABSTRACT: The five-membered ring of the title compound Δ(1)-1,2,4-triazoline-5-thione, C(11)H(13)N(3)S, is almost planar (r.m.s. deviation = 0.009 Å); the phenyl ring is aligned at 84.6 (2)° with respect to the five-membered ring. The crystal studied was a racemic twin with an approximate 20% minor twin component. Weak inter-molecular C-H⋯N hydrogen bonding is present in the crystal structure.

SUBMITTER: Tan KW

PROVIDER: S-EPMC3007980 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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5-Ethyl-5-methyl-4-phenyl-5H-1,2,4-triazol-3(4H)-thione.

Tan Kong Wai KW Maah M Jamil MJ Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20100811 Pt 9

The five-membered ring of the title compound Δ(1)-1,2,4-triazoline-5-thione, C(11)H(13)N(3)S, is almost planar (r.m.s. deviation = 0.009 Å); the phenyl ring is aligned at 84.6 (2)° with respect to the five-membered ring. The crystal studied was a racemic twin with an approximate 20% minor twin component. Weak inter-molecular C-H⋯N hydrogen bonding is present in the crystal structure. ...[more]

PMID: 21588595

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