Information card for entry 2227502

Structure parameters

• Chemical name: 2,3-Dimethyl-<i>N</i>-[(<i>E</i>)-(1<i>H</i>-pyrrol-2-yl)methylidene]aniline
• Formula: C13 H14 N2
• Calculated formula: C13 H14 N2
• SMILES: N(=C\c1[nH]ccc1)/c1c(c(ccc1)C)C
• Title of publication: 2,3-Dimethyl-<i>N</i>-[(<i>E</i>)-(1<i>H</i>-pyrrol-2-yl)methylidene]aniline
• Authors of publication: Tahir, M. Nawaz; Tariq, Muhammad Ilyas; Ahmad, Shahbaz; Sarfraz, Muhammad; Tariq, Riaz H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2295
• a: 12.8684 ± 0.0009 Å
• b: 7.1649 ± 0.0005 Å
• c: 12.9517 ± 0.0009 Å
• α: 90°
• β: 107.613 ± 0.003°
• γ: 90°
• Cell volume: 1138.18 ± 0.14 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: 0.1182
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes