Information card for entry 2237909

Structure parameters

• Chemical name: Ethyl 2-[4-(dimethylamino)phenyl]-1-phenyl-1<i>H</i>-benzimidazole-5-carboxylate
• Formula: C24 H23 N3 O2
• Calculated formula: C24 H23 N3 O2
• SMILES: CCOC(=O)c1ccc2c(c1)nc(n2c1ccccc1)c1ccc(cc1)N(C)C
• Title of publication: Ethyl 2-[4-(dimethylamino)phenyl]-1-phenyl-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: 6
• Pages of publication: o886
• a: 8.7196 ± 0.0001 Å
• b: 10.4133 ± 0.0002 Å
• c: 11.3658 ± 0.0002 Å
• α: 79.312 ± 0.001°
• β: 74.393 ± 0.001°
• γ: 89.781 ± 0.001°
• Cell volume: 975.56 ± 0.03 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0644
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes