Information card for entry 2221663

Structure parameters

• Chemical name: 1-(3-Bromopropyl)-4-(2-pyridyl)-1<i>H</i>-1,2,3-triazole
• Formula: C10 H11 Br N4
• Calculated formula: C10 H11 Br N4
• SMILES: BrCCCn1nnc(c2ncccc2)c1
• Title of publication: 1-(3-Bromopropyl)-4-(2-pyridyl)-1<i>H</i>-1,2,3-triazole
• Authors of publication: Crowley, James D.; Bandeen, Pauline H.; Hanton, Lyall R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o999 - o1000
• a: 5.658 ± 0.002 Å
• b: 9.688 ± 0.004 Å
• c: 10.191 ± 0.004 Å
• α: 84.498 ± 0.003°
• β: 85.663 ± 0.002°
• γ: 83.854 ± 0.002°
• Cell volume: 551.6 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes