Information card for entry 2202819

Structure parameters

• Formula: C8 H7 Cl O3
• Calculated formula: C8 H7 Cl O3
• SMILES: Clc1c(ccc(OC)c1O)C=O
• Title of publication: 2-Chloro-3-hydroxy-4-methoxybenzaldehyde
• Authors of publication: Richeng Xuan; Ying Zhou; Yuehua Wan; Rirong Xuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1710 - o1711
• a: 6.491 ± 0.0005 Å
• b: 14.2605 ± 0.0013 Å
• c: 8.5148 ± 0.0009 Å
• α: 90°
• β: 98.457 ± 0.003°
• γ: 90°
• Cell volume: 779.6 ± 0.12 ų
• Cell temperature: 293 ± 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 significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes