Information card for entry 4122380

Structure parameters

• Formula: C10 H10 N4
• Calculated formula: C10 H10 N4
• SMILES: N(=N\c1ccccc1)\c1cn(nc1)C
• Title of publication: Arylazopyrazoles: Azoheteroarene Photoswitches Offering Quantitative Isomerization and Long Thermal Half-Lives.
• Authors of publication: Weston, Claire E.; Richardson, Robert D.; Haycock, Peter R.; White, Andrew J. P.; Fuchter, Matthew J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 34
• Pages of publication: 11878
• a: 11.2431 ± 0.0007 Å
• b: 10.1867 ± 0.0006 Å
• c: 8.9687 ± 0.0006 Å
• α: 90°
• β: 104.512 ± 0.007°
• γ: 90°
• Cell volume: 994.41 ± 0.11 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No