Information card for entry 2004882

Structure parameters

• Formula: C4 H4 N4
• Calculated formula: C4 H4 N4
• SMILES: N#CC(=C(N)N)C#N
• Title of publication: 1,1-Diamino-2,2-dicyanoethene
• Authors of publication: Frampton, C. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1218 - 1220
• a: 8.444 ± 0.002 Å
• b: 5.015 ± 0.002 Å
• c: 12.5573 ± 0.0009 Å
• α: 90°
• β: 100.345 ± 0.009°
• γ: 90°
• Cell volume: 523.1 ± 0.2 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 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: 0.0474
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.039
• Goodness-of-fit parameter for significantly intense reflections: 2.59
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No