Information card for entry 2216801

Structure parameters

• Chemical name: 2,5-Dihydroxybenzaldehyde
• Formula: C7 H6 O3
• Calculated formula: C7 H6 O3
• SMILES: c1(c(cc(cc1)O)C=O)O
• Title of publication: 2,5-Dihydroxybenzaldehyde
• Authors of publication: Kretz, Tonia; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4673 - o4673
• a: 6.7544 ± 0.0007 Å
• b: 8.224 ± 0.0009 Å
• c: 11.404 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 633.47 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes