Information card for entry 2236776

Structure parameters

• Chemical name: 9-(Thiophen-2-yl)-8,9-dihydro-3<i>H</i>-pyrazolo[4,3-<i>f</i>]quinolin- 7(6<i>H</i>)-one ethanol monosolvate
• Formula: C16 H17 N3 O2 S
• Calculated formula: C16 H17 N3 O2 S
• Title of publication: 9-(Thiophen-2-yl)-8,9-dihydro-3<i>H</i>-pyrazolo[4,3-<i>f</i>]quinolin-7(6<i>H</i>)-one ethanol monosolvate
• Authors of publication: Peng, Juhua; Jia, Runhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2608
• a: 9.3831 ± 0.001 Å
• b: 19.138 ± 0.002 Å
• c: 8.749 ± 0.0009 Å
• α: 90°
• β: 99.412 ± 0.001°
• γ: 90°
• Cell volume: 1549.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1073
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes