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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; He, Fu-Jin; Li, Fang; Bi, Sai.
Affiliation
  • Wei QL; College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, 266042 Qingdao, Shandong, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 2): o412, 2008 Jan 09.
Article in En | MEDLINE | ID: mdl-21201440
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.

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Acta Crystallogr Sect E Struct Rep Online Year: 2008 Document type: Article Country of publication:

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Acta Crystallogr Sect E Struct Rep Online Year: 2008 Document type: Article Country of publication: