Information card for entry 2227688

Structure parameters

• Chemical name: 2-Methylbenzimidazolium thiocyanate
• Formula: C9 H9 N3 S
• Calculated formula: C9 H9 N3 S
• Title of publication: 2-Methylbenzimidazolium thiocyanate
• Authors of publication: A. Shaker, Shayma; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2913
• a: 9.879 ± 0.002 Å
• b: 7.2157 ± 0.0015 Å
• c: 12.89 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 918.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes