Information card for entry 2236662

Structure parameters

• Common name: 2-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyrrole
• Chemical name: 2,4,6-Trimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline
• Formula: C15 H18 N2
• Calculated formula: C15 H18 N2
• SMILES: [nH]1cccc1C(=N\c1c(cc(cc1C)C)C)\C
• Title of publication: 2,4,6-Trimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline
• Authors of publication: Su, Bi-yun; Li, Lei; Wang, Jia-Xiang; Li, Xuan-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2889
• a: 29.848 ± 0.004 Å
• b: 7.9668 ± 0.0011 Å
• c: 26.325 ± 0.004 Å
• α: 90°
• β: 119.94 ± 0.002°
• γ: 90°
• Cell volume: 5424.5 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1255
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes