Information card for entry 2005799

Structure parameters

• Common name: o-cyanophenol
• Chemical name: o-Cyanophenol
• Formula: C7 H5 N O
• Calculated formula: C7 H5 N O
• SMILES: c1(O)c(C#N)cccc1
• Title of publication: <i>o</i>-Cyanophenol
• Authors of publication: Beswick, C.; Kubicki, M.; Codding, P. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3171 - 3173
• a: 7.4614 ± 0.0004 Å
• b: 16.5571 ± 0.0013 Å
• c: 20.6129 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2546.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections: 0.1033
• Weighted residual factors for significantly intense reflections: 0.0965
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.154
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No