Information card for entry 2222010

Structure parameters

• Common name: (<i>E</i>)-<i>N</i>'-(2-Cyanophenyl)-<i>N</i>,<i>N</i>-dimethylformamidine
• Chemical name: 2-[(<i>E</i>)-(Dimethylamino)methyleneamino]benzonitrile
• Formula: C10 H11 N3
• Calculated formula: C10 H11 N3
• SMILES: N#Cc1ccccc1/N=C/N(C)C
• Title of publication: 2-[(<i>E</i>)-(Dimethylamino)methyleneamino]benzonitrile
• Authors of publication: Wei, Xia; Shi, Daxin; Fan, Yanqiu; Zhang, Ling; Li, Jiarong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1306
• a: 7.7468 ± 0.0015 Å
• b: 11.212 ± 0.002 Å
• c: 11.042 ± 0.002 Å
• α: 90°
• β: 109.67 ± 0.03°
• γ: 90°
• Cell volume: 903.1 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0394
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes