Information card for entry 2229552

Structure parameters

• Chemical name: 5-(3,6-Dibromo-9<i>H</i>-carbazol-9-yl)pentanenitrile
• Formula: C17 H14 Br2 N2
• Calculated formula: C17 H14 Br2 N2
• SMILES: Brc1ccc2c(c1)c1cc(Br)ccc1n2CCCCC#N
• Title of publication: 5-(3,6-Dibromo-9<i>H</i>-carbazol-9-yl)pentanenitrile
• Authors of publication: Uludağ, Nesimi; Ateş, Murat; Tercan, Barış; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o642
• a: 10.5654 ± 0.0002 Å
• b: 13.1471 ± 0.0003 Å
• c: 11.626 ± 0.0002 Å
• α: 90°
• β: 105.257 ± 0.002°
• γ: 90°
• Cell volume: 1557.99 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes