Information card for entry 2238614

Structure parameters

• Chemical name: <i>N</i>-(2-Bromophenyl)-1,3-selenazolo[5,4-<i>b</i>]pyridin-2-amine
• Formula: C12 H8 Br N3 Se
• Calculated formula: C12 H8 Br N3 Se
• SMILES: [se]1c(nc2c1nccc2)Nc1c(Br)cccc1
• Title of publication: <i>N</i>-(2-Bromophenyl)-1,3-selenazolo[5,4-<i>b</i>]pyridin-2-amine
• Authors of publication: Bo, Zhou; Du Shu, Huang; Wei, Liu; Mei Yun, Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1537
• a: 12.5312 ± 0.0005 Å
• b: 7.4562 ± 0.0003 Å
• c: 13.8913 ± 0.0005 Å
• α: 90°
• β: 112.331 ± 0.004°
• γ: 90°
• Cell volume: 1200.6 ± 0.09 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No