Information card for entry 1549174

Structure parameters

• Formula: C14 H13 N O
• Calculated formula: C14 H13 N O
• SMILES: Oc1c(cc(cc1)C)/C=N/c1ccccc1
• Title of publication: (<i>E</i>)-4-Methyl-2-(<i>N</i>-phenylcarboximidoyl)phenol
• Authors of publication: Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 3
• Pages of publication: x180464
• a: 4.6976 ± 0.0004 Å
• b: 19.3656 ± 0.0018 Å
• c: 12.3116 ± 0.0012 Å
• α: 90°
• β: 95.831 ± 0.003°
• γ: 90°
• Cell volume: 1114.21 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1205
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes