Information card for entry 2227406

Structure parameters

• Chemical name: 5-(2-Hydroxyphenyl)-3-methyl-4,5-dihydro-1<i>H</i>-pyrazole-1-carbaldehyde
• Formula: C11 H12 N2 O2
• Calculated formula: C11 H12 N2 O2
• SMILES: C(=O)N1C(CC(=N1)C)c1ccccc1O
• Title of publication: 5-(2-Hydroxyphenyl)-3-methyl-4,5-dihydro-1<i>H</i>-pyrazole-1-carbaldehyde
• Authors of publication: Cui, Ping; Li, Xin-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2351
• a: 7.3835 ± 0.0015 Å
• b: 13.454 ± 0.003 Å
• c: 10.507 ± 0.002 Å
• α: 90°
• β: 106.46 ± 0.03°
• γ: 90°
• Cell volume: 1001 ± 0.4 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: 0.0435
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes