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1-Benzyl-3,5-bis-[(E)-3-thienyl-methyl-idene]piperidin-4-one.

ABSTRACT: In the title mol-ecule, C(22)H(19)NOS(2), the piperidine ring adopts an envelope conformation with the benzyl substituent in an equatorial position. Each of the olefinic double bonds has an E configuration. The dihedral angle between the two thio-phene rings is 1.55?(18)°. The thio-phene rings form angles of 72.21?(14) and 73.43?(14)° with the phenyl ring. Both thio-phene rings are disordered over two orientations [occupancy ratios of 0.799?(1):0.201?(1)] at 180° from one another. In the crystal, weak inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions help to stabilize the packing.

SUBMITTER: Gayathri P

PROVIDER: S-EPMC3052058 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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1-Benzyl-3,5-bis-[(E)-3-thienyl-methyl-idene]piperidin-4-one.

Gayathri P P Thiruvalluvar A A Rajeswari K K Pandiarajan K K Butcher R J RJ

Acta crystallographica. Section E, Structure reports online 20110205 Pt 3

In the title mol-ecule, C(22)H(19)NOS(2), the piperidine ring adopts an envelope conformation with the benzyl substituent in an equatorial position. Each of the olefinic double bonds has an E configuration. The dihedral angle between the two thio-phene rings is 1.55 (18)°. The thio-phene rings form angles of 72.21 (14) and 73.43 (14)° with the phenyl ring. Both thio-phene rings are disordered over two orientations [occupancy ratios of 0.799 (1):0.201 (1)] at 180° from one another. In the crystal ...[more]

PMID: 21522333

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