Information card for entry 2020567

Structure parameters

• Chemical name: 1-(4-Methylphenyl)-4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline
• Formula: C17 H15 N3
• Calculated formula: C17 H15 N3
• SMILES: n1(ncc2Cc3ccccc3Nc12)c1ccc(cc1)C
• Title of publication: Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines
• Authors of publication: Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 9
• a: 6.6676 ± 0.0017 Å
• b: 26.571 ± 0.008 Å
• c: 7.912 ± 0.002 Å
• α: 90°
• β: 104.561 ± 0.009°
• γ: 90°
• Cell volume: 1356.7 ± 0.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes