Information card for entry 2230378

Structure parameters

• Chemical name: 3a,8a-Dihydroxy-1,3,3a,8a-tetrahydroindeno[1,2-<i>d</i>]imidazole-2,8-dione
• Formula: C10 H8 N2 O4
• Calculated formula: C10 H8 N2 O4
• SMILES: O=C1N[C@@]2(O)c3ccccc3C(=O)[C@@]2(O)N1.O=C1N[C@]2(O)c3ccccc3C(=O)[C@]2(O)N1
• Title of publication: 3a,8a-Dihydroxy-1,3,3a,8a-tetrahydroindeno[1,2-<i>d</i>]imidazole-2,8-dione
• Authors of publication: Ghalib, Raza Murad; Hashim, Rokiah; Mehdi, Sayed Hasan; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1525
• a: 6.7914 ± 0.0002 Å
• b: 7.3201 ± 0.0002 Å
• c: 9.5006 ± 0.0003 Å
• α: 94.258 ± 0.001°
• β: 102.773 ± 0.001°
• γ: 93.725 ± 0.001°
• Cell volume: 457.74 ± 0.02 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes