Information card for entry 2233552

Structure parameters

• Chemical name: Ethyl 1-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-1<i>H</i>- benzimidazole-5-carboxylate
• Formula: C23 H25 N3 O3
• Calculated formula: C23 H25 N3 O3
• SMILES: CCOC(=O)c1ccc2c(c1)nc(n2CCCN1CCCC1=O)c1ccccc1
• Title of publication: Ethyl 1-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-1<i>H</i>-benzimidazole-5-carboxylate
• Authors of publication: Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o251 - o252
• a: 9.9469 ± 0.0003 Å
• b: 10.5845 ± 0.0003 Å
• c: 11.3184 ± 0.0003 Å
• α: 69.679 ± 0.001°
• β: 67.374 ± 0.001°
• γ: 70.135 ± 0.001°
• Cell volume: 1001.77 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes