Information card for entry 2019115

Structure parameters

• Chemical name: 3,4-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]1cccc1/C(=N/c1ccc(c(c1)C)C)C
• Title of publication: 3,4-Dimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline and the 1-(1-thiophen-2-yl) analogue
• Authors of publication: Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: 1073 - 1076
• a: 13.013 ± 0.003 Å
• b: 10.265 ± 0.002 Å
• c: 9.892 ± 0.002 Å
• α: 90°
• β: 110.448 ± 0.004°
• γ: 90°
• Cell volume: 1238.1 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes