Information card for entry 2240209

Structure parameters

• Chemical name: 2-(4-Methylbenzylidene)malononitrile
• Formula: C11 H8 N2
• Calculated formula: C11 H8 N2
• SMILES: c1(ccc(cc1)C=C(C#N)C#N)C
• Title of publication: Crystal structure of 2-(4-methylbenzylidene)malononitrile
• Authors of publication: Amiri, Ouafa; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1263
• a: 7.0043 ± 0.0005 Å
• b: 7.527 ± 0.0005 Å
• c: 9.5396 ± 0.0006 Å
• α: 106.757 ± 0.004°
• β: 96.592 ± 0.004°
• γ: 105.204 ± 0.004°
• Cell volume: 454.75 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1324
• 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