Information card for entry 2233829

Structure parameters

• Chemical name: 2-(2,4,5-Trimethoxyphenyl)-2,3-dihydroquinolin-4(1<i>H</i>)-one
• Formula: C18 H19 N O4
• Calculated formula: C18 H19 N O4
• SMILES: O=C1c2c(NC(C1)c1c(OC)cc(OC)c(OC)c1)cccc2
• Title of publication: 2-(2,4,5-Trimethoxyphenyl)-2,3-dihydroquinolin-4(1<i>H</i>)-one
• Authors of publication: Chantrapromma, Suchada; Ruanwas, Pumsak; Boonnak, Nawong; Chantrapromma, Kan; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o664 - o665
• a: 10.7354 ± 0.0011 Å
• b: 17.1525 ± 0.0016 Å
• c: 8.6471 ± 0.0008 Å
• α: 90°
• β: 102.981 ± 0.002°
• γ: 90°
• Cell volume: 1551.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.119
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes