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1-Methyl-3,3-bis-[(4-methyl-phen-yl)sulfan-yl]piperidin-2-one.

ABSTRACT: The piperidone ring in the title compound, C(20)H(23)NOS(2), has a half-chair distorted to a twisted-boat conformation [Q(T) = 0.5200?(17)?Å]. One of the S-bound benzene rings is almost perpendicular to the least-squares plane through the piperidone ring, whereas the other is not [dihedral angles = 75.28?(5) and 46.41?(5)?Å, respectively]. In the crystal, the presence of C-H?O and C-H?? inter-actions leads to the formation of supra-molecular layers in the ab plane.

SUBMITTER: Zukerman-Schpector J

PROVIDER: S-EPMC3201309 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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1-Methyl-3,3-bis-[(4-methyl-phen-yl)sulfan-yl]piperidin-2-one.

Zukerman-Schpector Julio J Olivato Paulo R PR Cerqueira Carlos R CR Santos Jean M M JM Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

The piperidone ring in the title compound, C(20)H(23)NOS(2), has a half-chair distorted to a twisted-boat conformation [Q(T) = 0.5200 (17) Å]. One of the S-bound benzene rings is almost perpendicular to the least-squares plane through the piperidone ring, whereas the other is not [dihedral angles = 75.28 (5) and 46.41 (5) Å, respectively]. In the crystal, the presence of C-H⋯O and C-H⋯π inter-actions leads to the formation of supra-molecular layers in the ab plane. ...[more]

PMID: 22065241

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