Information card for entry 2104841

Structure parameters

• Common name: 2,4,6-tribromophenyl azide
• Chemical name: 2,4,6-tribromophenyl azide
• Formula: C6 H2 Br3 N3
• Calculated formula: C6 H2 Br3 N3
• SMILES: Brc1c(N=N#N)c(Br)cc(Br)c1
• Title of publication: Direct observation of arylnitrene formation in the photoreaction of arylazide crystals
• Authors of publication: Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: 639 - 646
• a: 3.8918 ± 0.0001 Å
• b: 14.69 ± 0.0003 Å
• c: 15.6965 ± 0.0004 Å
• α: 90°
• β: 95.665 ± 0.001°
• γ: 90°
• Cell volume: 892.99 ± 0.04 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 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: 0.0269
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No