Information card for entry 2235985

Structure parameters

• Chemical name: 2-[Hydroxy(2-methoxyphenyl)methyl]acrylonitrile
• Formula: C11 H11 N O2
• Calculated formula: C11 H11 N O2
• SMILES: c1(C(O)C(=C)C#N)c(OC)cccc1
• Title of publication: 2-[Hydroxy(2-methoxyphenyl)methyl]acrylonitrile
• Authors of publication: Bakthadoss, M.; Selvakumar, R.; Madhanraj, R.; Murugavel, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2467
• a: 6.9063 ± 0.0004 Å
• b: 8.7085 ± 0.0004 Å
• c: 11.7294 ± 0.0006 Å
• α: 94.864 ± 0.003°
• β: 98.013 ± 0.003°
• γ: 106.579 ± 0.002°
• Cell volume: 663.73 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1963
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes