Information card for entry 2235561

Structure parameters

• Chemical name: 9-(2-Bromoethyl)-9<i>H</i>-carbazole
• Formula: C14 H12 Br N
• Calculated formula: C14 H12 Br N
• SMILES: BrCCn1c2ccccc2c2ccccc12
• Title of publication: 9-(2-Bromoethyl)-9<i>H</i>-carbazole
• Authors of publication: Zhao, Bao-Hua; Zhu, Xiao-Fei; Guan, Shuang; Li, Dong-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2026
• a: 5.417 ± 0.003 Å
• b: 12.254 ± 0.006 Å
• c: 17.505 ± 0.011 Å
• α: 90°
• β: 96.46 ± 0.03°
• γ: 90°
• Cell volume: 1154.6 ± 1.1 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 4
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes