Information card for entry 2239720

Structure parameters

• Common name: 4-chloro-3-ethylphenol
• Chemical name: 4-chloro-3-ethylphenol
• Formula: C8 H9 Cl O
• Calculated formula: C8 H9 Cl O
• Title of publication: 4-Chloro-3-ethylphenol
• Authors of publication: Majer, Sean H.; Tanski, Joseph M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o801
• a: 7.558 ± 0.0007 Å
• b: 8.6854 ± 0.0008 Å
• c: 12.252 ± 0.0011 Å
• α: 78.363 ± 0.001°
• β: 78.762 ± 0.001°
• γ: 80.355 ± 0.001°
• Cell volume: 765.72 ± 0.12 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes