Information card for entry 2200184

Structure parameters

• Chemical name: 2-[4-(Dimethylamino)phenyl]ethylene-1,1-dinitrile
• Formula: C12 H11 N3
• Calculated formula: C12 H11 N3
• SMILES: N#CC(=C\c1ccc(N(C)C)cc1)/C#N
• Title of publication: 2-[4-(Dimethylamino)phenyl]ethylene-1,1-dinitrile
• Authors of publication: Wang, Kezhi; Wang, Zheming; Yan, Chunhua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o214 - o215
• a: 3.9972 ± 0.0004 Å
• b: 14.0618 ± 0.0017 Å
• c: 9.5477 ± 0.0011 Å
• α: 90°
• β: 100.6 ± 0.007°
• γ: 90°
• Cell volume: 527.5 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes