Information card for entry 2231264

Structure parameters

• Chemical name: 2-[(4-Formylphenyl)(hydroxy)methyl]acrylonitrile
• Formula: C11 H9 N O2
• Calculated formula: C11 H9 N O2
• SMILES: C(=O)c1ccc(cc1)C(C(=C)C#N)O
• Title of publication: 2-[(4-Formylphenyl)(hydroxy)methyl]acrylonitrile
• Authors of publication: Prasanna, C. M. Sai; Sethusankar, K.; Rajesh, R.; Raghunathan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2176
• a: 7.6089 ± 0.0005 Å
• b: 6.0895 ± 0.0003 Å
• c: 20.5135 ± 0.0014 Å
• α: 90°
• β: 93.615 ± 0.002°
• γ: 90°
• Cell volume: 948.59 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes