Information card for entry 2238806

Structure parameters

• Chemical name: 2-[(1<i>H</i>-Pyrrol-2-yl)methyl]-1<i>H</i>-pyrrole
• Formula: C9 H10 N2
• Calculated formula: C9 H10 N2
• SMILES: c1ccc(Cc2ccc[nH]2)[nH]1
• Title of publication: 2-[(1<i>H</i>-Pyrrol-2-yl)methyl]-1<i>H</i>-pyrrole
• Authors of publication: Kim, Chong-Hyeak; Jeon, Yea-Sel; Lynch, Vincent; Sessler, Jonathan L.; Hwang, Kwang-Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1697
• a: 6.048 ± 0.003 Å
• b: 7.312 ± 0.004 Å
• c: 9.024 ± 0.005 Å
• α: 90°
• β: 100.78 ± 0.01°
• γ: 90°
• Cell volume: 392 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No