Information card for entry 2209951

Structure parameters

• Chemical name: 2-Amino-3-(4-pyridylmethyleneamino)butenedinitrile
• Formula: C10 H7 N5
• Calculated formula: C10 H7 N5
• SMILES: c1cnccc1/C=N/C(=C(C#N)\N)C#N
• Title of publication: 2-Amino-3-(4-pyridylmethyleneamino)butenedinitrile
• Authors of publication: Wu, Jun-Sen; Xu, Hong-Kun; Shi, Jing-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3490 - o3491
• a: 15.405 ± 0.006 Å
• b: 4.8694 ± 0.0019 Å
• c: 13.587 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1019.2 ± 0.7 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes