Information card for entry 2236723

Structure parameters

• Chemical name: 3-Chloromethyl-2-hydroxybenzaldehyde
• Formula: C8 H7 Cl O2
• Calculated formula: C8 H7 Cl O2
• SMILES: ClCc1c(O)c(ccc1)C=O
• Title of publication: 3-Chloromethyl-2-hydroxybenzaldehyde
• Authors of publication: Fu, Wei-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2928
• a: 4.483 ± 0.006 Å
• b: 12.521 ± 0.018 Å
• c: 13.71 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 769.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0619
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes