Information card for entry 2240893

Structure parameters

• Chemical name: 5-Hydroxymethyl-2-methoxyphenol
• Formula: C8 H10 O3
• Calculated formula: C8 H10 O3
• SMILES: OCc1cc(c(cc1)OC)O
• Title of publication: Crystal structure of 5-hydroxymethyl-2-methoxyphenol
• Authors of publication: Hassan, Mubashir; Ashraf, Zaman; Seo, Sung-Yum; Kim, Daeyoung; Kang, Sung Kwon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: o540 - o541
• a: 15.011 ± 0.004 Å
• b: 6.1354 ± 0.0018 Å
• c: 16.543 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1523.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes