Information card for entry 2016700

Structure parameters

• Chemical name: <i>N</i>-(2-bromoethyl)-4-piperidino-1,8-naphthalimide
• Formula: C19 H19 Br N2 O2
• Calculated formula: C19 H19 Br N2 O2
• SMILES: BrCCN1C(=O)c2ccc(N3CCCCC3)c3cccc(c23)C1=O
• Title of publication: <i>N</i>-(2-Bromoethyl)-4-piperidino-1,8-naphthalimide and <i>N</i>-(3-bromopropyl)-4-piperidino-1,8-naphthalimide
• Authors of publication: Tagg, Tei; McAdam, C. John; Robinson, Brian H.; Simpson, Jim
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o388 - o391
• a: 7.3476 ± 0.0004 Å
• b: 9.3218 ± 0.0005 Å
• c: 12.2905 ± 0.0006 Å
• α: 82.039 ± 0.003°
• β: 84.205 ± 0.002°
• γ: 74.937 ± 0.003°
• Cell volume: 803.19 ± 0.07 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes