Octyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-chlorophenyl)-1H-benzimidazole- 5-carboxylate: complex sheets built from N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds

E. Cortés, R. Abonía, J. Cobo, C. Glidewell

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Abstract

In the title compound, C29H35ClN4O2, the bond lengths provide evidence for aromatic delocalization in the pyrazole ring but bond fixation in the fused imidazole ring, and the octyl chain is folded, rather than adopting an all-trans chain-extended conformation. A combination of N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds links the molecules into sheets, in which the hydrogen bonds occupy the central layer with the tert-butyl and octyl groups arranged on either side, such that the closest contacts between adjacent sheets involve only the octyl groups. Comparisons are made with the supramolecular assembly in some simpler analogues.

Original languageEnglish
Pages (from-to)617-621
Number of pages5
JournalActa Crystallographica Section C Structural Chemistry
Volume70
Issue number6
DOIs
Publication statusPublished - 1 Jun 2014

Keywords

  • Crystal structure
  • Hydrogen bonding
  • Supra­molecular assembly
  • Benzimidazole carb­oxy­lic acid ester
  • Anti­tumour activity

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