Information card for entry 2230509

Structure parameters

• Common name: 2-[4-(Diethylamino)benzylidene]malononitrile
• Chemical name: 2-{[4-(diethylamino)phenyl]methylidene}propanedinitrile
• Formula: C14 H15 N3
• Calculated formula: C14 H15 N3
• SMILES: CCN(c1ccc(cc1)C=C(C#N)C#N)CC
• Title of publication: 2-[4-(Diethylamino)benzylidene]malononitrile
• Authors of publication: Jing, Yi; Yu, Luo-Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1556
• a: 9.2187 ± 0.0002 Å
• b: 9.4914 ± 0.0002 Å
• c: 14.5384 ± 0.0004 Å
• α: 90°
• β: 97.846 ± 0.002°
• γ: 90°
• Cell volume: 1260.18 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes