Information card for entry 2219215

Structure parameters

• Common name: <i>N</i>-(Imidazol-1-ylmethyl)phthalimide
• Chemical name: 2-(Imidazol-1-ylmethyl)isoindole-1,3-dione
• Formula: C12 H9 N3 O2
• Calculated formula: C12 H9 N3 O2
• SMILES: O=C1N(Cn2cncc2)C(=O)c2c1cccc2
• Title of publication: <i>N</i>-(Imidazol-1-ylmethyl)phthalimide
• Authors of publication: Wang, Su-Qing; Jian, Fang-Fang; Liu, Huan-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1750
• a: 7.9905 ± 0.0006 Å
• b: 19.8096 ± 0.0015 Å
• c: 6.9229 ± 0.0005 Å
• α: 90°
• β: 105.554 ± 0.001°
• γ: 90°
• Cell volume: 1055.69 ± 0.14 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes