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1-Benzyl-3,5-bis-(2-thienylmethyl-ene)-4-piperidone.

ABSTRACT: In the title compound, C(22)H(19)NOS(2), the thio-phene rings form angles of 69.74?(18) and 65.56?(16)° with the benzene ring. The piperidone ring adopts a half-chair conformation due to the presence of the conjugated ketone systems. Both thio-phene rings are disordered over two orientations [occupancies of 0.758?(2)/0.242?(2) and 0.588?(2)/0.412?(2)] at 180° from one another. In the crystal, weak inter-molecular C-H?O hydrogen bonds, C-H?? and aromatic ?-? stacking inter-actions [shortest centroid-centroid separation = 3.865?(3)?Å] help to stabilize the packing.

SUBMITTER: Sun JF

PROVIDER: S-EPMC2970328 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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1-Benzyl-3,5-bis-(2-thienylmethyl-ene)-4-piperidone.

Sun Ju-Feng JF Li Hong-Juan HJ

Acta crystallographica. Section E, Structure reports online 20090905 Pt 10

In the title compound, C(22)H(19)NOS(2), the thio-phene rings form angles of 69.74 (18) and 65.56 (16)° with the benzene ring. The piperidone ring adopts a half-chair conformation due to the presence of the conjugated ketone systems. Both thio-phene rings are disordered over two orientations [occupancies of 0.758 (2)/0.242 (2) and 0.588 (2)/0.412 (2)] at 180° from one another. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds, C-H⋯π and aromatic π-π stacking inter-actions [shortest centr ...[more]

PMID: 21577781

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