Information card for entry 7121739

Structure parameters

• Common name: 4-aminobenzonitrile
• Chemical name: 4-aminobenzonitrile
• Formula: C7 H6 N2
• Calculated formula: C7 H6 N2
• Title of publication: Reversible thermosalience of 4-aminobenzonitrile.
• Authors of publication: Alimi, Lukman O.; van Heerden, Dewald P.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 48
• Pages of publication: 6208 - 6211
• a: 7.243 ± 0.0005 Å
• b: 5.4842 ± 0.0004 Å
• c: 16.0426 ± 0.0011 Å
• α: 90°
• β: 101.797 ± 0.002°
• γ: 90°
• Cell volume: 623.79 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No