Information card for entry 2210332

Structure parameters

• Chemical name: 5-amino-2-methylisoindoline-1,3-dione
• Formula: C9 H8 N2 O2
• Calculated formula: C9 H8 N2 O2
• SMILES: O=C1N(C(=O)c2c1cc(N)cc2)C
• Title of publication: 5-Amino-2-methylisoindoline-1,3-dione
• Authors of publication: Liang, Zu-Pei; Li, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4126 - o4127
• a: 4.83 ± 0.0008 Å
• b: 10.648 ± 0.0014 Å
• c: 15.6476 ± 0.0016 Å
• α: 90°
• β: 94.434 ± 0.009°
• γ: 90°
• Cell volume: 802.34 ± 0.19 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes