Information card for entry 2206513

Structure parameters

• Chemical name: 3-Benzoylmethylene-1-methyl-3,4-dihydroquinoxalin-2(1H)-one
• Formula: C17 H14 N2 O2
• Calculated formula: C17 H14 N2 O2
• SMILES: O=C(c1ccccc1)\C=C1Nc2c(N(C/1=O)C)cccc2
• Title of publication: 3-Benzoylmethylene-1-methyl-3,4-dihydroquinoxalin-2(1<i>H</i>)-one
• Authors of publication: Yun Liu; Zhi-Feng Lu; Yong-Miao Shen; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2753 - o2754
• a: 9.605 ± 0.0019 Å
• b: 10.767 ± 0.002 Å
• c: 13.374 ± 0.003 Å
• α: 90°
• β: 104.36 ± 0.03°
• γ: 90°
• Cell volume: 1339.9 ± 0.5 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 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: 0.1004
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes