Information card for entry 1543671

Structure parameters

• Chemical name: Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate
• Formula: C24 H18 F N3 O2
• Calculated formula: C23.9999 H17.9995 F N3 O2
• Title of publication: Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate
• Authors of publication: Madan Kumar, S.; Vasantha, Kumar; Boja, Poojary; Byrappa, K.; Warad, Ismail
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 7
• Pages of publication: x161124
• a: 18.4827 ± 0.0012 Å
• b: 9.8467 ± 0.0006 Å
• c: 22.0681 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4016.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes