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Crystal structure of (E)-4-(acet-oxy-imino)-N-allyl-3-isopropyl-2,6-di-phenyl-piperi-dine-1-carbo-thio-amide.

ABSTRACT: The title compound, C26H31N3O2S, crystallizes with two mol-ecules (A and B) in the asymmetric unit. In each case, the piperidine ring exists in a twist-boat conformation. The dihedral angle between the phenyl rings is 46.16?(12)° in mol-ecule A and 44.95?(12)° in mol-ecule B. In both mol-ecules, the allyl side chain is disordered over two orientations in a 0.649?(9):0.351?(9) ratio for mol-ecule A and 0.826?(10):0.174?(10) ratio for mol-ecule B. In the crystal, neither mol-ecule forms a hydrogen bond from its N-H group, presumably due to steric hindrance. A+A and B+B inversion dimers are formed, linked by pairs of weak C-H?O hydrogen bonds enclosing R 2 (2)(22) ring motifs.

SUBMITTER: Mohandas T 

PROVIDER: S-EPMC4571387 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of (E)-4-(acet-oxy-imino)-N-allyl-3-isopropyl-2,6-di-phenyl-piperi-dine-1-carbo-thio-amide.

Mohandas T T   Krishnan K Gokula KG   Balamurugan S S   Harrison William T A WT   Thanikachalam V V   Sakthivel P P  

Acta crystallographica. Section E, Crystallographic communications 20150704 Pt 8

The title compound, C26H31N3O2S, crystallizes with two mol-ecules (A and B) in the asymmetric unit. In each case, the piperidine ring exists in a twist-boat conformation. The dihedral angle between the phenyl rings is 46.16 (12)° in mol-ecule A and 44.95 (12)° in mol-ecule B. In both mol-ecules, the allyl side chain is disordered over two orientations in a 0.649 (9):0.351 (9) ratio for mol-ecule A and 0.826 (10):0.174 (10) ratio for mol-ecule B. In the crystal, neither mol-ecule forms a hydrogen  ...[more]

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