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3,3-Bis[(4-meth-oxy-phen-yl)sulfan-yl]-1-methyl-piperidin-2-one.

ABSTRACT: The piperidone ring in the title compound, C(20)H(23)NO(3)S(2), has a distorted half-chair conformation with the central methyl-ene atom of the propyl fragment lying 0.696 (1) Å out of the plane defined by the other five atoms (r.m.s. deviation = 0.071 Å). One of the S-bound phenyl rings is almost perpendicular to the mean plane through the piperidone ring, whereas the other is splayed [dihedral angles = 71.95 (6) and 38.42 (6)°]. In the crystal, C-H⋯O and C-H⋯π inter-actions lead to the formation of supra-molecular layers in the ab plane.

SUBMITTER: Caracelli I

PROVIDER: S-EPMC3393893 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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3,3-Bis[(4-meth-oxy-phen-yl)sulfan-yl]-1-methyl-piperidin-2-one.

Caracelli Ignez I 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 20120613 Pt 7

The piperidone ring in the title compound, C(20)H(23)NO(3)S(2), has a distorted half-chair conformation with the central methyl-ene atom of the propyl fragment lying 0.696 (1) Å out of the plane defined by the other five atoms (r.m.s. deviation = 0.071 Å). One of the S-bound phenyl rings is almost perpendicular to the mean plane through the piperidone ring, whereas the other is splayed [dihedral angles = 71.95 (6) and 38.42 (6)°]. In the crystal, C-H⋯O and C-H⋯π inter-actions lead to the formati ...[more]

PMID: 22798758

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

Project description: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.

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