Information card for entry 2204223

Structure parameters

• Chemical name: Methyl 1-n-butyl-2-(3,4-dichlorophenyl)-1H-benzimidazole-5-carboxylate
• Formula: C19 H18 Cl2 N2 O2
• Calculated formula: C19 H18 Cl2 N2 O2
• SMILES: Clc1ccc(cc1Cl)c1nc2c(n1CCCC)ccc(c2)C(=O)OC
• Title of publication: Methyl 1-<i>n</i>-butyl-2-(3,4-dichlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate
• Authors of publication: Burcu Arslan; Canan Kazak; Hacer Karataş; Seçkin Özden
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1535 - o1537
• a: 9.3359 ± 0.0006 Å
• b: 14.4051 ± 0.0008 Å
• c: 16.3707 ± 0.0011 Å
• α: 90°
• β: 123.459 ± 0.004°
• γ: 90°
• Cell volume: 1836.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes