Information card for entry 4305475

Structure parameters

• Common name: 2-butynyl-methylimidazolium azide
• Chemical name: 1-(2-butynyl)-3-methyl-imidazolium azide
• Formula: C8 H11 N5
• Calculated formula: C8 H11 N5
• SMILES: n1(c[n+](C)cc1)CC#CC.N(#N)=[N-]
• Title of publication: Liquid Azide Salts and Their Reactions with Common Oxidizers IRFNA and N2O4
• Authors of publication: Stefan Schneider; Tommy Hawkins; Michael Rosander; Jeffrey Mills; Ghanshyam Vaghjiani; Steven Chambreau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6082 - 6089
• a: 7.1953 ± 0.0014 Å
• b: 8.238 ± 0.0017 Å
• c: 8.4471 ± 0.0017 Å
• α: 68.765 ± 0.003°
• β: 89.253 ± 0.003°
• γ: 80.307 ± 0.003°
• Cell volume: 459.42 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No