Information card for entry 2236609

Structure parameters

• Chemical name: 2,5-Dimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline
• Formula: C14 H16 N2
• Calculated formula: C14 H16 N2
• SMILES: [nH]1cccc1C(=N\c1cc(ccc1C)C)\C
• Title of publication: 2,5-Dimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline
• Authors of publication: Su, Bi-Yun; Qin, Wen-Long; Wang, Jia-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3088
• a: 12.5894 ± 0.0017 Å
• b: 7.3109 ± 0.001 Å
• c: 14.8425 ± 0.0019 Å
• α: 90°
• β: 113.118 ± 0.002°
• γ: 90°
• Cell volume: 1256.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes