Information card for entry 2209447

Structure parameters

• Common name: 4-Methyl-3H-pyrrolo[2,3-c]quinoline
• Chemical name: 4-Methyl-3H-pyrrolo[2,3-c]quinoline
• Formula: C12 H10 N2
• Calculated formula: C12 H10 N2
• SMILES: n1c2c(cccc2)c2c([nH]cc2)c1C
• Title of publication: 4-Methyl-3<i>H</i>-pyrrolo[2,3-<i>c</i>]quinoline
• Authors of publication: Akkharawit Kanjana-opas; Somrak Panphon; Hoong-Kun Fun; Suchada Chantrapromma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2728 - o2730
• a: 20.2212 ± 0.0005 Å
• b: 18.0889 ± 0.0004 Å
• c: 5.1003 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1865.58 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes