Information card for entry 2204433

Structure parameters

• Chemical name: 4-methyl-1-(3-nitrophenacyl)-5,6,7,8-tetrahydroquinolin-2(1H)-one
• Formula: C18 H18 N2 O4
• Calculated formula: C18 H18 N2 O4
• SMILES: n1(c(=O)cc(c2CCCCc12)C)CC(=O)c1cccc(c1)N(=O)=O
• Title of publication: 4-Methyl-1-(3-nitrophenacyl)-5,6,7,8-tetrahydroquinolin-2(1<i>H</i>)-one
• Authors of publication: Dmitry V. Albov; Victor B. Rybakov; Eugene V. Babaev; Leonid A. Aslanov
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o1952 - o1953
• a: 9.115 ± 0.003 Å
• b: 9.271 ± 0.003 Å
• c: 11.248 ± 0.003 Å
• α: 92 ± 0.02°
• β: 105.09 ± 0.02°
• γ: 118.82 ± 0.02°
• Cell volume: 789.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes