Information card for entry 2216973

Structure parameters

• Chemical name: <i>N,N</i>-Bis(2-bromoethyl)aniline
• Formula: C10 H13 Br2 N
• Calculated formula: C10 H13 Br2 N
• SMILES: c1(ccccc1)N(CCBr)CCBr
• Title of publication: <i>N</i>,<i>N</i>-Bis(2-bromoethyl)aniline
• Authors of publication: Bojan, R. Vilma; Varga, Richard A.; Silvestru, Cristian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o86 - o86
• a: 13.682 ± 0.012 Å
• b: 13.926 ± 0.012 Å
• c: 12.215 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2327 ± 3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes