Information card for entry 2236754

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-(2-phenylethyl)-2-propyl-1<i>H</i>-benzimidazole- 6-carboxamide
• Formula: C20 H23 N3 O
• Calculated formula: C20 H23 N3 O
• SMILES: CCCc1[nH]c2c(cc(cc2n1)C(=O)NCCc1ccccc1)C.CCCc1nc2c(cc(cc2C)C(=O)NCCc2ccccc2)[nH]1
• Title of publication: 4-Methyl-<i>N</i>-(2-phenylethyl)-2-propyl-1<i>H</i>-benzimidazole-6-carboxamide
• Authors of publication: Wang, Jin-Liang; Yu, Wei-Fa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2824
• a: 10.2028 ± 0.0007 Å
• b: 11.9126 ± 0.0009 Å
• c: 17.0553 ± 0.0017 Å
• α: 101.563 ± 0.004°
• β: 99.11 ± 0.004°
• γ: 113.808 ± 0.002°
• Cell volume: 1790.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.074
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes