Information card for entry 2221614

Structure parameters

• Chemical name: 2,3-Dichlorobenzene-1,4-diol
• Formula: C6 H4 Cl2 O2
• Calculated formula: C6 H4 Cl2 O2
• SMILES: Clc1c(O)ccc(c1Cl)O
• Title of publication: 2,3-Dichlorobenzene-1,4-diol
• Authors of publication: Ahn, Paul D.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1103
• a: 4.831 ± 0.001 Å
• b: 11.347 ± 0.002 Å
• c: 12.962 ± 0.003 Å
• α: 90°
• β: 105.94 ± 0.01°
• γ: 90°
• Cell volume: 683.2 ± 0.2 ų
• Cell temperature: 294 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 significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.87
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes