Information card for entry 2211838

Structure parameters

• Common name: 2,4-Dichlorobenzyl alcohol
• Chemical name: (2,4-Dichlorophenyl)methanol
• Formula: C7 H6 Cl2 O
• Calculated formula: C7 H6 Cl2 O
• SMILES: OCc1c(cc(cc1)Cl)Cl
• Title of publication: (2,4-Dichlorophenyl)methanol
• Authors of publication: Bambagiotti-Alberti, Massimo; Bruni, Bruno; Di Vaira, Massimo; Giannellini, Valerio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o275 - o276
• a: 4.7361 ± 0.0004 Å
• b: 12.8179 ± 0.0013 Å
• c: 24.853 ± 0.002 Å
• α: 90°
• β: 96.852 ± 0.008°
• γ: 90°
• Cell volume: 1498 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0361
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes