Information card for entry 2243847

Structure parameters

• Chemical name: Ethyl 1-propyl-2-(pyren-1-yl)-1<i>H</i>-benzimidazole-5-carboxylate
• Formula: C29 H24 N2 O2
• Calculated formula: C29 H24 N2 O2
• Title of publication: The crystal structures of three disordered 2-substituted benzimidazole esters
• Authors of publication: Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 5
• Pages of publication: 473 - 479
• a: 18.467 ± 0.002 Å
• b: 8.686 ± 0.0008 Å
• c: 14.242 ± 0.001 Å
• α: 90°
• β: 95.359 ± 0.007°
• γ: 90°
• Cell volume: 2274.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1053
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes