Information card for entry 2241187

Structure parameters

• Chemical name: 3-Methoxy-2-(5-(naphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazol-3-yl)phenol
• Formula: C20 H18 N2 O2
• Calculated formula: C20 H18 N2 O2
• SMILES: O(c1c(C2=NNC(C2)c2cccc3ccccc23)c(O)ccc1)C
• Title of publication: Crystal structure of 3-methoxy-2-(5-(naphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazol-3-yl)phenol
• Authors of publication: Koh, Dongsoo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o828 - o829
• a: 7.728 ± 0.0012 Å
• b: 8.6933 ± 0.0014 Å
• c: 12.721 ± 0.002 Å
• α: 78.507 ± 0.004°
• β: 73.781 ± 0.004°
• γ: 76.148 ± 0.004°
• Cell volume: 788.7 ± 0.2 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes