Information card for entry 1504340

Structure parameters

• Chemical name: 1-(2-pentynyl)-3-methyl-imidazolium dicyanamide
• Formula: C11 H13 N5
• Calculated formula: C11 H13 N5
• SMILES: c1n(cc[n+]1C)CC#CCC.N#C[N-]C#N
• Title of publication: Ionic Liquids as Hypergolic Fuels
• Authors of publication: Schneider, Stefan; Hawkins, Tommy; Rosander, Michael; Vaghjiani, Ghanshyam; Chambreau, Steven; Drake, Gregory
• Journal of publication: Energy & Fuels
• Year of publication: 2008
• Journal volume: 22
• Journal issue: 4
• Pages of publication: 2871
• a: 8.5639 ± 0.0017 Å
• b: 8.7313 ± 0.0017 Å
• c: 9.1486 ± 0.0018 Å
• α: 107.85 ± 0.03°
• β: 99.4 ± 0.03°
• γ: 111.59 ± 0.03°
• Cell volume: 575.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No