1-Methyl-3,3-bis-(phenyl-sulfan-yl)piperidin-2-one.

ABSTRACT: The piperidone ring in the title compound, C(18)H(19)NOS(2), is in a distorted half-chair conformation, distorted towards a twisted boat, with the central methyl-ene C atom of the propyl backbone lying 0.606?(2)?Å out of the plane defined by the other five atoms (r.m.s. deviation = 0.1197?Å). One of the S-bound phenyl rings is almost perpendicular to the least-squares plane through the piperidone ring, whereas the other is splayed [dihedral angles = 75.97?(6) and 44.21?(7)°, respectively]. The most prominent feature of the crystal packing is the formation of helical supra-molecular chains along the b axis sustained by C-H?O inter-actions. The chains are consolidated into a three-dimensional architecture via C-H?? inter-actions whereby one S-bound phenyl ring accepts two C-H?? contacts.

SUBMITTER: Caracelli I 

PROVIDER: S-EPMC3379371 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other