Information card for entry 1551060

Structure parameters

• Common name: 2,3-Dichloro-3',4'-dihydroxybiphenyl
• Chemical name: 4-(2,3-Dichlorophenyl)benzene-1,2-diol
• Formula: C12 H8 Cl2 O2
• Calculated formula: C12 H8 Cl2 O2
• SMILES: Oc1cc(c2c(Cl)c(Cl)ccc2)ccc1O
• Title of publication: 2,3-Dichloro-3',4'-dihydroxybiphenyl
• Authors of publication: Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 5
• Pages of publication: x190662
• a: 6.8542 ± 0.0004 Å
• b: 19.9526 ± 0.0011 Å
• c: 7.6704 ± 0.0004 Å
• α: 90°
• β: 95.762 ± 0.003°
• γ: 90°
• Cell volume: 1043.7 ± 0.1 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.0776
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes