Information card for entry 2239140

Structure parameters

• Chemical name: 5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1<i>H</i>-benzimidazole methanol monosolvate
• Formula: C19 H17 Cl N2 O2 S
• Calculated formula: C19 H17 Cl N2 O2 S
• Title of publication: 5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1<i>H</i>-benzimidazole methanol monosolvate
• Authors of publication: Flores-Ramos, Miguel; Castillo, Rafael; Hernández-Campos, Alicia; Flores-Alamo, Marcos
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o77
• a: 7.4094 ± 0.0006 Å
• b: 9.1941 ± 0.0008 Å
• c: 14.4253 ± 0.0011 Å
• α: 73.978 ± 0.007°
• β: 75.315 ± 0.007°
• γ: 75.136 ± 0.007°
• Cell volume: 895.08 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes