Information card for entry 2212572

Structure parameters

• Chemical name: N-(2,6-dichlorobenzyl)phthaimide
• Formula: C15 H9 Cl2 N O2
• Calculated formula: C15 H9 Cl2 N O2
• SMILES: Clc1c(c(Cl)ccc1)CN1C(=O)c2c(C1=O)cccc2
• Title of publication: <i>N</i>-(2,6-Dichlorobenzyl)phthalimide
• Authors of publication: Huang, Peng-Mian; Yang, Dao-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1251 - o1252
• a: 5.2122 ± 0.0008 Å
• b: 13.753 ± 0.002 Å
• c: 18.594 ± 0.003 Å
• α: 90°
• β: 90.863 ± 0.002°
• γ: 90°
• Cell volume: 1332.7 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes