Information card for entry 2233469

Structure parameters

• Chemical name: Ethyl 2-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1<i>H</i>- benzimidazole-5-carboxylate
• Formula: C24 H27 N3 O4
• Calculated formula: C24 H27 N3 O4
• SMILES: CCOC(=O)c1ccc2c(c1)nc(n2CCCN1CCCC1=O)c1ccc(cc1)OC
• Title of publication: Ethyl 2-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-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: o308 - o309
• a: 10.7455 ± 0.0003 Å
• b: 12.2235 ± 0.0003 Å
• c: 16.1967 ± 0.0004 Å
• α: 86.162 ± 0.001°
• β: 80.917 ± 0.001°
• γ: 88.275 ± 0.001°
• Cell volume: 2095.6 ± 0.09 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: 0.0523
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes