Information card for entry 2234562

Structure parameters

• Chemical name: 2-(pyridin-4-ylmethoxy)phenol
• Formula: C12 H11 N O2
• Calculated formula: C12 H11 N O2
• SMILES: Oc1ccc(OCc2ccncc2)cc1
• Title of publication: A second orthorhombic polymorph of 2-(pyridin-4-ylmethoxy)phenol
• Authors of publication: Wang, Guang-Tu; Zhang, Yong; Yang, Jin-Xin; Zou, Ping; Hou, Guang-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1366
• a: 23.398 ± 0.005 Å
• b: 5.8343 ± 0.0012 Å
• c: 7.3934 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1009.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes