Information card for entry 2008351

Structure parameters

• Common name: 2,3-Dicyano-1,4-dihydroxybenzene
• Formula: C8 H2 Cl2 N2 O2
• Calculated formula: C8 H2 Cl2 N2 O2
• SMILES: Clc1c(Cl)c(O)c(c(c1O)C#N)C#N
• Title of publication: Redetermination of 2,3-dichloro-5,6-dicyano-1,4-dihydroxybenzene
• Authors of publication: Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 592 - 594
• a: 16.38 ± 0.003 Å
• b: 6.536 ± 0.002 Å
• c: 8.514 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 911.5 ± 0.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No