Information card for entry 2238245

Structure parameters

• Common name: <i>N</i>,<i>N</i>'-Dihydroxybenzene-1,2:4,5-tetracarboximide dihydrate
• Chemical name: 2,6-Dihydroxy-1<i>H</i>,2<i>H</i>,3<i>H</i>,5<i>H</i>,6<i>H</i>,7<i>H</i>-pyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7-tetrone dihydrate
• Formula: C10 H8 N2 O8
• Calculated formula: C10 H8 N2 O8
• SMILES: O=C1c2cc3c(cc2C(=O)N1O)C(=O)N(C3=O)O.O.O
• Title of publication: <i>N</i>,<i>N</i>'-Dihydroxybenzene-1,2:4,5-tetracarboximide dihydrate
• Authors of publication: Centore, Roberto; Carella, Antonio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1152 - o1153
• a: 6.874 ± 0.003 Å
• b: 10.189 ± 0.005 Å
• c: 8.099 ± 0.004 Å
• α: 90°
• β: 106.58 ± 0.02°
• γ: 90°
• Cell volume: 543.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes