Information card for entry 2218301

Structure parameters

• Chemical name: 3,5-Dichloro-2-hydroxybenzaldehyde
• Formula: C7 H4 Cl2 O2
• Calculated formula: C7 H4 Cl2 O2
• SMILES: c1(c(c(cc(c1)Cl)Cl)O)C=O
• Title of publication: 3,5-Dichloro-2-hydroxybenzaldehyde
• Authors of publication: Fan, Ying; You, Wei; Liu, Jian-Lan; Qian, Hui-Fen; Huang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1080
• a: 8.3359 ± 0.0016 Å
• b: 13.884 ± 0.003 Å
• c: 7.2341 ± 0.0014 Å
• α: 90°
• β: 114.519 ± 0.002°
• γ: 90°
• Cell volume: 761.7 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes