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1-(5-Benzyl-sulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thia-diazol-3-yl)-2,2-dimethyl-propan-1-one.

ABSTRACT: In the title compound, C(16)H(22)N(2)OS(2), the S atom of the thia-diazole ring and the attached methyl groups are disordered over two orientations with a refined site-occupancy ratio of 0.641?(11):0.359?(11). The thia-diazole ring is in a twist conformation in both disorder components. The mean plane through the thia-diazole ring makes dihedral angles of 77.39?(8) (major component) and 67.45?(11)° (minor component) with the benzene ring. Intra-molecular C-H?N inter-actions generate two S(6) ring motifs. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds into zigzag chains parallel to the b axis.

SUBMITTER: Yusof MS

PROVIDER: S-EPMC3344160 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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1-(5-Benzyl-sulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thia-diazol-3-yl)-2,2-dimethyl-propan-1-one.

Yusof Mohd Sukeri Mohd MS Mutalib Fatimah Abdul FA Arshad Suhana S Razak Ibrahim Abdul IA

Acta crystallographica. Section E, Structure reports online 20120331 Pt 4

In the title compound, C(16)H(22)N(2)OS(2), the S atom of the thia-diazole ring and the attached methyl groups are disordered over two orientations with a refined site-occupancy ratio of 0.641 (11):0.359 (11). The thia-diazole ring is in a twist conformation in both disorder components. The mean plane through the thia-diazole ring makes dihedral angles of 77.39 (8) (major component) and 67.45 (11)° (minor component) with the benzene ring. Intra-molecular C-H⋯N inter-actions generate two S(6) rin ...[more]

PMID: 22606163

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