Information card for entry 2236969

Structure parameters

• Chemical name: 2-Methyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline
• Formula: C13 H14 N2
• Calculated formula: C13 H14 N2
• SMILES: [nH]1cccc1/C(=N/c1c(cccc1)C)C
• Title of publication: 2-Methyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline
• Authors of publication: Su, Bi-yun; Qin, Wen-Long; Jiao, Long; Wang, Jia-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3326
• a: 10.12 ± 0.002 Å
• b: 10.4 ± 0.003 Å
• c: 11.726 ± 0.003 Å
• α: 79.138 ± 0.004°
• β: 67.021 ± 0.004°
• γ: 88.154 ± 0.004°
• Cell volume: 1114.7 ± 0.5 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: 0.0842
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes