Information card for entry 2240986

Structure parameters

• Common name: azidodicyanoimidazole
• Chemical name: 2-Azido-1<i>H</i>-imidazole-4,5-dicarbonitrile
• Formula: C5 H N7
• Calculated formula: C5 H N7
• SMILES: [nH]1c(c(nc1N=N#N)C#N)C#N
• Title of publication: Crystal structure of 2-azido-1<i>H</i>-imidazole-4,5-dicarbonitrile
• Authors of publication: Windler, G. Kenneth; Scott, Brian L.; Tomson, Neil C.; Leonard, Philip W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: o633
• a: 7.3217 ± 0.0006 Å
• b: 12.8128 ± 0.0011 Å
• c: 7.5202 ± 0.0006 Å
• α: 90°
• β: 102.215 ± 0.002°
• γ: 90°
• Cell volume: 689.51 ± 0.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• 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: 0.044
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.556
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes