Information card for entry 7200373

Structure parameters

• Common name: (0.45)2-METHYLPHENOL:(0.55)2-CHLOROPHENOL
• Chemical name: (0.45)2-METHYLPHENOL:(0.55)2-CHLOROPHENOL
• Formula: C6.45 H6.34 Cl0.55 O
• Calculated formula: C6.44667 H6.34 Cl0.553333 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: 16.1628 ± 0.0002 Å
• b: 16.1628 ± 0.0002 Å
• c: 5.9006 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1334.93 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No