Information card for entry 2238191

Structure parameters

• Chemical name: Ethyl 2-[5-(4-fluorophenyl)pyridine-3-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl] -1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate
• Formula: C28 H29 F N4 O4
• Calculated formula: C28 H29 F N4 O4
• SMILES: CCOC(=O)c1ccc2c(c1)nc(n2CCCN1CCCC1=O)c1cncc(c1)c1ccc(cc1)F.O
• Title of publication: Ethyl 2-[5-(4-fluorophenyl)pyridin-3-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1<i>H</i>-benzimidazole-5-carboxylate
• Authors of publication: Yeong, Keng Yoon; Ali, Mohamed Ashraf; Choon, Tan Soo; Rosli, Mohd Mustaqim; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1013 - o1014
• a: 16.064 ± 0.0015 Å
• b: 7.6562 ± 0.0007 Å
• c: 20.1991 ± 0.0019 Å
• α: 90°
• β: 98.163 ± 0.002°
• γ: 90°
• Cell volume: 2459.1 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.0591
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes