Information card for entry 2233555

Structure parameters

• Chemical name: Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]- 1<i>H</i>-benzimidazole-5-carboxylate
• Formula: C24 H25 N3 O5
• Calculated formula: C24 H25 N3 O5
• SMILES: O(C(=O)c1cc2nc(n(c2cc1)CCCN1CCCC1=O)c1ccc2OCOc2c1)CC
• Title of publication: Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1<i>H</i>-benzimidazole-5-carboxylate
• Authors of publication: Yoon, Yeong Keng; Ali, Mohamed Ashraf; Wei, Ang Chee; 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: o471 - o472
• a: 11.1692 ± 0.0002 Å
• b: 11.5498 ± 0.0002 Å
• c: 17.4607 ± 0.0003 Å
• α: 90°
• β: 109.21 ± 0.001°
• γ: 90°
• Cell volume: 2127.05 ± 0.07 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes