Information card for entry 2219110

Structure parameters

• Common name: 2,6-Diformyl-4-chlorophenol
• Chemical name: 5-Chloro-2-hydroxybenzene-1,3-dicarbaldehyde
• Formula: C8 H5 Cl O3
• Calculated formula: C8 H5 Cl O3
• SMILES: c1(c(cc(cc1C=O)Cl)C=O)O
• Title of publication: 5-Chloro-2-hydroxybenzene-1,3-dicarbaldehyde
• Authors of publication: Jiang, Jue-Chao; Wang, Gang; You, Wei; Huang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1426
• a: 7.5554 ± 0.0015 Å
• b: 3.9144 ± 0.0008 Å
• c: 25.676 ± 0.005 Å
• α: 90°
• β: 97.921 ± 0.003°
• γ: 90°
• Cell volume: 752.1 ± 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: 0.0459
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes