Information card for entry 2208211

Structure parameters

• Chemical name: 2-Hydroxymethyl-4-methylphenol
• Formula: C8 H10 O2
• Calculated formula: C8 H10 O2
• SMILES: c1(c(ccc(c1)C)O)CO
• Title of publication: 2-Hydroxymethyl-4-methylphenol
• Authors of publication: Chu, Zhao-Lian; Huang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o675 - o677
• a: 16.322 ± 0.003 Å
• b: 5.4697 ± 0.0009 Å
• c: 8.4504 ± 0.0014 Å
• α: 90°
• β: 101.447 ± 0.003°
• γ: 90°
• Cell volume: 739.4 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes