Information card for entry 2201182

Structure parameters

• Chemical name: p-isocyanobenzonitrile
• Formula: C8 H4 N2
• Calculated formula: C8 H4 N2
• Title of publication: <i>p</i>-Isocyanobenzonitrile
• Authors of publication: Britton, Doyle
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o637 - o639
• a: 3.7923 ± 0.0011 Å
• b: 6.468 ± 0.0018 Å
• c: 7.504 ± 0.002 Å
• α: 113.099 ± 0.01°
• β: 94.412 ± 0.01°
• γ: 97.128 ± 0.01°
• Cell volume: 166.4 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes