Information card for entry 2000630

Structure parameters

• Formula: C8 H5 N O2
• Calculated formula: C8 H5 N O2
• SMILES: O=C1NC(=O)c2c1cccc2
• Title of publication: Structure of 1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione (phthalimide)
• Authors of publication: Ng, S. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 1694 - 1695
• a: 3.8036 ± 0.0007 Å
• b: 7.643 ± 0.001 Å
• c: 22.818 ± 0.005 Å
• α: 90°
• β: 91.36°
• γ: 90°
• Cell volume: 663.2 ± 0.2 ų
• 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
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No