Information card for entry 2217712

Structure parameters

• Chemical name: 1-Oxoisoindoline-2-carboxamide
• Formula: C9 H8 N2 O2
• Calculated formula: C9 H8 N2 O2
• SMILES: O=C1N(Cc2c1cccc2)C(=O)N
• Title of publication: 1-Oxoisoindoline-2-carboxamide
• Authors of publication: Maliha, Bushra; Hussain, Ishtiaq; Tahir, M. Nawaz; Tariq, Muhammad Ilyas; Siddiqui, Hamid Latif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o626
• a: 3.9839 ± 0.0003 Å
• b: 7.8732 ± 0.0008 Å
• c: 25.651 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 804.57 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes