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3,3-Dimethyl-1-[5-(1H-1,2,4-triazol-1-yl-meth-yl)-1,3,4-thia-diazol-2-ylsulfan-yl]butan-2-one.

ABSTRACT: In the mol-ecule of the title compound, C(11)H(15)N(5)OS(2), the thia-diazole and triazole rings are not coplanar, the dihedral angle formed by their mean planes being 59.9 (2)°. The exocyclic S atom, and the methyl-ene, carbonyl, tert-butyl and one methyl carbon form an approximately planar zigzag chain, which makes a dihedral angle of 74.6 (1)° with the thia-diazole ring.

SUBMITTER: Wei QL

PROVIDER: S-EPMC2960317 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

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3,3-Dimethyl-1-[5-(1H-1,2,4-triazol-1-yl-meth-yl)-1,3,4-thia-diazol-2-ylsulfan-yl]butan-2-one.

Wei Qing-Li QL He Fu-Jin FJ Li Fang F Bi Sai S

Acta crystallographica. Section E, Structure reports online 20080109 Pt 2

In the mol-ecule of the title compound, C(11)H(15)N(5)OS(2), the thia-diazole and triazole rings are not coplanar, the dihedral angle formed by their mean planes being 59.9 (2)°. The exocyclic S atom, and the methyl-ene, carbonyl, tert-butyl and one methyl carbon form an approximately planar zigzag chain, which makes a dihedral angle of 74.6 (1)° with the thia-diazole ring. ...[more]

PMID: 21201440

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