Information card for entry 2233169

Structure parameters

• Chemical name: Ethyl 2-(4-nitrophenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]- 1<i>H</i>-benzimidazole-5-carboxylate
• Formula: C23 H24 N4 O5
• Calculated formula: C23 H24 N4 O5
• SMILES: O(C(=O)c1cc2nc(n(c2cc1)CCCN1CCCC1=O)c1ccc(N(=O)=O)cc1)CC
• Title of publication: Ethyl 2-(4-nitrophenyl)-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: 1
• Pages of publication: o59
• a: 9.3125 ± 0.0001 Å
• b: 10.0941 ± 0.0001 Å
• c: 12.9955 ± 0.0002 Å
• α: 91.958 ± 0.001°
• β: 107.752 ± 0.001°
• γ: 114.465 ± 0.001°
• Cell volume: 1040.67 ± 0.03 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: 0.0975
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes