Information card for entry 2225384

Structure parameters

• Common name: 2-Ethyl-6-(2-pyridinyl)-5,6,6a,11b-tetrahydro-7<i>H</i> -indeno[2,1-<i>c</i>]quinoline
• Chemical name: 2-Ethyl-6-(2-pyridyl)-5,6,6a,11b-tetrahydro-7<i>H</i> -indeno[2,1-<i>c</i>]quinoline
• Formula: C23 H22 N2
• Calculated formula: C23 H22 N2
• SMILES: N1[C@H]([C@H]2Cc3ccccc3[C@H]2c2cc(ccc12)CC)c1ncccc1.N1[C@@H]([C@@H]2Cc3ccccc3[C@@H]2c2cc(ccc12)CC)c1ncccc1
• Title of publication: 2-Ethyl-6-(2-pyridyl)-5,6,6a,11b-tetrahydro-7<i>H</i>-indeno[2,1-<i>c</i>]quinoline
• Authors of publication: Bohórquez, Arnold R. Romero; Kouznetsov, Vladimir V.; González, Teresa; Briceño, Alexander
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o680 - o681
• a: 13.241 ± 0.004 Å
• b: 15.801 ± 0.004 Å
• c: 8.789 ± 0.002 Å
• α: 90°
• β: 101.168 ± 0.006°
• γ: 90°
• Cell volume: 1804 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.095
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes