Information card for entry 2216574

Structure parameters

• Chemical name: 4-(2-Thienyl)-3,4-dihydrobenzo[h]quinolin-2(1H)-one
• Formula: C17 H13 N O S
• Calculated formula: C17 H13 N O S
• SMILES: s1c(C2CC(=O)Nc3c2ccc2ccccc32)ccc1
• Title of publication: 4-(2-Thienyl)-3,4-dihydrobenzo[<i>h</i>]quinolin-2(1<i>H</i>)-one
• Authors of publication: Xiaotong Zhu; Shujiang Tu; Dianxiang Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4907 - o4907
• a: 10.275 ± 0.003 Å
• b: 14.494 ± 0.004 Å
• c: 9.829 ± 0.003 Å
• α: 90°
• β: 112.612 ± 0.004°
• γ: 90°
• Cell volume: 1351.3 ± 0.7 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: 0.1278
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1958
• Weighted residual factors for all reflections included in the refinement: 0.2475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes