Ethyl 2-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1H- benzimidazole-5-carboxylate

Yeong Keng Yoon, Mohamed Ashraf Ali, Tan Soo Choon, Safra Izuani Jama Asik, Ibrahim Abdul Razak

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1 Citation (Scopus)

Abstract

The asymmetric unit of the title compound, C 24H 27N 3O 4, contains two molecules, A and B. The benzimidazole rings are essentially planar [maximum deviations = 0.0144 (10) and 0.0311 (8) Å in A and B, respectively]. The dihedral angle between the benzimidazole mean plane and its attached benzene ring is 36.90 (5) ° for molecule A and 51.40 (5) ° for molecule B. In both molecules, the pyrrolidine ring adopts an envelope conformation with a C atom as the flap. In molecule B, the flap C atom is disordered over two positions in a 0.711 (6):0.289 (6) ratio. In the crystal, C - H⋯O interactions link the molecules, generating [100] chains. The crystal packing also features weak π-π interactions between the imidazole and benzene rings [centroid-centroid distances = 3.8007 (7) and 3.8086 (7) Å] and between the benzene rings [centroid-centroid distance = 3.7001 (7) Å] and C - H⋯π inter-actions involving the benzene rings.

Original languageEnglish
Pages (from-to)o308-o309
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Issue number2
DOIs
Publication statusPublished - Feb 2012
Externally publishedYes

Keywords

  • data-to-parameter ratio = 19.4
  • disorder in main residue
  • mean σ(C-C) = 0.002 Å
  • R factor = 0.044
  • single-crystal X-ray study
  • T = 100 K
  • wR factor = 0.133

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