Information card for entry 2204185

Structure parameters

• Chemical name: 5,6-Dichloro-1-propyl-1H-benzimidazole
• Formula: C10 H10 Cl2 N2
• Calculated formula: C10 H10 Cl2 N2
• SMILES: Clc1cc2ncn(c2cc1Cl)CCC
• Title of publication: 5,6-Dichloro-1-propylbenzimidazole
• Authors of publication: Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1603 - o1605
• a: 6.2342 ± 0.0006 Å
• b: 9.4516 ± 0.0008 Å
• c: 9.8012 ± 0.0009 Å
• α: 104.207 ± 0.007°
• β: 91.138 ± 0.008°
• γ: 101.849 ± 0.007°
• Cell volume: 546.42 ± 0.09 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes