Information card for entry 2236583

Structure parameters

• Chemical name: <i>N</i>-[1-(1<i>H</i>-Pyrrol-2-yl)ethylidene]aniline
• Formula: C12 H12 N2
• Calculated formula: C12 H12 N2
• SMILES: [nH]1cccc1/C(=N/c1ccccc1)C
• Title of publication: <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: o2888
• a: 8.2236 ± 0.0014 Å
• b: 11.3306 ± 0.0019 Å
• c: 11.913 ± 0.002 Å
• α: 95.984 ± 0.003°
• β: 93.202 ± 0.003°
• γ: 109.274 ± 0.003°
• Cell volume: 1037.3 ± 0.3 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: 0.0701
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes