Information card for entry 7152430

Structure parameters

• Formula: C13 H13 N O2
• Calculated formula: C13 H13 N O2
• SMILES: c1(=O)c(cc2ccccc2[nH]1)C(=O)CCC
• Title of publication: Facile and efficient synthesis of quinolin-2(1H)-ones via cyclization of penta-2,4-dienamides mediated by H(2)SO(4).
• Authors of publication: Liu, Xu; Xin, Xin; Xiang, Dexuan; Zhang, Rui; Kumar, Santosh; Zhou, Fenguo; Dong, Dewen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 29
• Pages of publication: 5643 - 5646
• a: 5.5086 ± 0.0004 Å
• b: 8.9755 ± 0.0007 Å
• c: 11.5642 ± 0.0009 Å
• α: 103.51 ± 0.001°
• β: 95.81 ± 0.001°
• γ: 101.073 ± 0.001°
• Cell volume: 539.16 ± 0.07 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No