Information card for entry 2237569

Structure parameters

• Chemical name: 5-Bromo-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine
• Formula: C7 H5 Br N2
• Calculated formula: C7 H5 Br N2
• SMILES: Brc1cc2cc[nH]c2nc1
• Title of publication: 5-Bromo-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine
• Authors of publication: Štarha, Pavel; Trávníček, Zdeněk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o381
• a: 8.9082 ± 0.0004 Å
• b: 13.3632 ± 0.0006 Å
• c: 5.833 ± 0.0003 Å
• α: 90°
• β: 103.403 ± 0.005°
• γ: 90°
• Cell volume: 675.46 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes