Information card for entry 2011162

Structure parameters

• Chemical name: Phthalimido-3-iodo propane
• Formula: C11 H10 I N O2
• Calculated formula: C11 H10 I N O2
• SMILES: ICCCN1C(=O)c2ccccc2C1=O
• Title of publication: <i>N</i>-(3-Iodopropyl)phthalimide
• Authors of publication: Chandramohan, Kattamuri; Ravikumar, Krishnan; Rajendar, Shenigarapu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: e298 - e299
• a: 7.582 ± 0.001 Å
• b: 19.19 ± 0.003 Å
• c: 8.143 ± 0.001 Å
• α: 90°
• β: 109.95 ± 0.01°
• γ: 90°
• Cell volume: 1113.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections: 1.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes