Information card for entry 7200372

Structure parameters

• Common name: 2-Chlorophenol
• Chemical name: 2-Chlorophenol
• Formula: C6 H5 Cl O
• Calculated formula: C6 H5 Cl O
• Title of publication: Structural similarities of 2-chlorophenol and 2-methylphenol
• Authors of publication: Oswald, Iain D. H.; Crichton, Wilson A.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 463
• a: 5.5826 ± 0.001 Å
• b: 9.587 ± 0.003 Å
• c: 10.054 ± 0.004 Å
• α: 90°
• β: 96.19 ± 0.02°
• γ: 90°
• Cell volume: 535 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1576
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No