Information card for entry 2209913

Structure parameters

• Chemical name: 4-Bromo-N-(3-thienylmethyl)-1,8-naphthalimide
• Formula: C17 H10 Br N O2 S
• Calculated formula: C17 H10 Br N O2 S
• SMILES: Brc1ccc2c3c1cccc3C(=O)N(C2=O)Cc1cscc1
• Title of publication: 4-Bromo-<i>N</i>-(3-thienylmethyl)-1,8-naphthalimide
• Authors of publication: Bin Chen; Yu-quan, Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3294 - o3295
• a: 11.4 ± 0.0016 Å
• b: 7.2252 ± 0.0012 Å
• c: 18.211 ± 0.002 Å
• α: 90°
• β: 103.721 ± 0.006°
• γ: 90°
• Cell volume: 1457.2 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.1
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes