Information card for entry 2217618

Structure parameters

• Chemical name: 1-Benzyl-2,3-dihydroquinolin-4(1H)-one
• Formula: C16 H15 N O
• Calculated formula: C16 H15 N O
• SMILES: c1(CN2c3c(C(=O)CC2)cccc3)ccccc1
• Title of publication: 1-Benzyl-2,3-dihydroquinolin-4(1<i>H</i>)-one
• Authors of publication: Wang, Ming-Liang; Wu, Wei-Bing; Ye, Heng-Yun; Sun, Yue-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o447 - o447
• a: 5.5992 ± 0.0011 Å
• b: 9.786 ± 0.002 Å
• c: 23.313 ± 0.005 Å
• α: 90°
• β: 96.79 ± 0.03°
• γ: 90°
• Cell volume: 1268.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1332
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes