Information card for entry 2216635

Structure parameters

• Chemical name: 1-Oxo-N-phenylisoindoline-2-carboxamide
• Formula: C15 H12 N2 O2
• Calculated formula: C15 H12 N2 O2
• SMILES: O=C1N(Cc2c1cccc2)C(=O)Nc1ccccc1
• Title of publication: 1-Oxo-<i>N</i>-phenylisoindoline-2-carboxamide
• Authors of publication: Maliha, Bushra; Hussain, Ishtiaq; Siddiqui, Hamid Latif; Tariq, Muhammad Ilyas; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4728 - o4728
• a: 12.905 ± 0.004 Å
• b: 5.619 ± 0.001 Å
• c: 17.161 ± 0.006 Å
• α: 90°
• β: 102.228 ± 0.017°
• γ: 90°
• Cell volume: 1216.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes