Information card for entry 2240753

Structure parameters

• Chemical name: <i>p</i>-Toluenesulfonylmethyl isocyanide
• Formula: C9 H9 N O2 S
• Calculated formula: C9 H9 N O2 S
• Title of publication: Crystal structure of <i>p</i>-toluenesulfonylmethyl isocyanide
• Authors of publication: Bano, Huma; Yousuf, Sammer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o412
• a: 22.342 ± 0.005 Å
• b: 8.881 ± 0.002 Å
• c: 4.8462 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 961.6 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes