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
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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.
Cortés , E , Abonía , R , Cobo , J & Glidewell , C 2014 , ' 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 ' Acta Crystallographica Section C Structural Chemistry , vol 70 , no. 6 , pp. 617-621 . DOI: 10.1107/S2053229614011760
Acta Crystallographica Section C Structural Chemistry
© 2014 International Union of Crystallography.
DescriptionThe authors thank the Centro de Instrumentacion Cientıfico-Tecnica of the Universidad de Jaen and the staff for the data collection. Financial support from COLCIENCIAS, the Universidad del Valle, the Consejerıa de Economıa, Innovacion, Ciencia y Empleo (Junta de Andalucıa, Spain) and the Universidad de Jaen is gratefully acknowledged.
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