Information card for entry 2221325

Structure parameters

• Chemical name: (<i>Z</i>)-2-Amino-3-[(<i>E</i>)-benzylideneamino]but-2-enedinitrile
• Formula: C11 H8 N4
• Calculated formula: C11 H8 N4
• SMILES: N#CC(=C(\C#N)N)/N=C/c1ccccc1
• Title of publication: (<i>Z</i>)-2-Amino-3-[(<i>E</i>)-benzylideneamino]but-2-enedinitrile
• Authors of publication: Varsha, G.; Arun, V.; Sebastian, Manju; Leeju, P.; Varghese, Digna; Yusuff, K. K. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o919
• a: 6.9569 ± 0.0019 Å
• b: 22.796 ± 0.006 Å
• c: 13.516 ± 0.004 Å
• α: 90°
• β: 100.983 ± 0.005°
• γ: 90°
• Cell volume: 2104.2 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.133
• Residual factor for significantly intense reflections: 0.1061
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.288
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKαradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes