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2-r-(4-Chloro-phen-yl)-6-c-phenyl-3,4,5,6-tetra-hydro-2H-thio-pyran-4-one 1-oxide.

ABSTRACT: The thio-pyran unit of the title mol-ecule, C(17)H(15)ClO(2)S, is in chair form. A crystallographic mirror plane bis-ects the mol-ecule, passing through the O=S and the opposite C=O atoms of the central ring, with statistical disorder of the Cl atom. The geometry around the S atom is tetra-hedral and the carbonyl C is planar. The 4-chloro-phenyl group at the 2 position and the phenyl ring at the 6 position have equatorial orientations. Inter-molecular C-H?O and C-H?Cl hydrogen bonds are found in the crystal structure. In addition, there is a short O?C inter-molecular contact [2.970?(5)?Å].

SUBMITTER: Thiruvalluvar A 

PROVIDER: S-EPMC2959857 | biostudies-other | 2008 Nov

REPOSITORIES: biostudies-other

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2-r-(4-Chloro-phen-yl)-6-c-phenyl-3,4,5,6-tetra-hydro-2H-thio-pyran-4-one 1-oxide.

Thiruvalluvar A A   Balamurugan S S   Butcher R J RJ   Pandiarajan K K   Devanathan D D  

Acta crystallographica. Section E, Structure reports online 20081120 Pt 12

The thio-pyran unit of the title mol-ecule, C(17)H(15)ClO(2)S, is in chair form. A crystallographic mirror plane bis-ects the mol-ecule, passing through the O=S and the opposite C=O atoms of the central ring, with statistical disorder of the Cl atom. The geometry around the S atom is tetra-hedral and the carbonyl C is planar. The 4-chloro-phenyl group at the 2 position and the phenyl ring at the 6 position have equatorial orientations. Inter-molecular C-H⋯O and C-H⋯Cl hydrogen bonds are found in  ...[more]

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