Information card for entry 2219277

Structure parameters

• Chemical name: 3-(2-Hydroxyphenyl)-5-(2-methoxyphenyl)-1H-pyrazole
• Formula: C16 H14 N2 O2
• Calculated formula: C16 H14 N2 O2
• SMILES: O(c1c(c2[nH]nc(c2)c2c(O)cccc2)cccc1)C
• Title of publication: 3-(2-Hydroxyphenyl)-5-(2-methoxyphenyl)-1<i>H</i>-pyrazole
• Authors of publication: Hasan, Aurangzeb; Ikram, Sumera; Badshah, Amir; Bolte, Michael; Zia, Mehwash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1767
• a: 17.5626 ± 0.0015 Å
• b: 10.2239 ± 0.0007 Å
• c: 7.4513 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1337.94 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes