Crystal structure of (E)-4-(acet­­oxy­imino)-N-allyl-3-iso­propyl-2,6-di­phenyl­piperi­dine-1-carbo­thio­amide

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

Research output: Contribution to journalArticle


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.

Original languageEnglish
Pages (from-to)o542-543
Number of pages2
JournalActa Crystallographica Section E: Crystallographic Communications
Issue number8
Publication statusPublished - 1 Aug 2015

Bibliographical note

The authors thank Dr Babu Varghese, Senior Scientific Officer SAIF, IIT Madras, India, for the data collection.


  • Crystal structure
  • carbothiamide
  • piperidine
  • acetoxyimino
  • inversion dimers


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