Information card for entry 2207266

Structure parameters

• Chemical name: 3-{[(4-(4-Methylphenylsulfonamido)benzoyl]methylidene}- 3,4-dihydroquinoxalin-2(1H)-one
• Formula: C23 H19 N3 O4 S
• Calculated formula: C23 H19 N3 O4 S
• SMILES: S(=O)(=O)(Nc1ccc(C(=O)/C=C2\Nc3ccccc3NC2=O)cc1)c1ccc(cc1)C
• Title of publication: 3-{[4-(4-Methylphenylsulfonamido)benzoyl]methylidene}-3,4-dihydroquinoxalin-2(1<i>H</i>)-one
• Authors of publication: Yi-Sheng Xu; Cheng-Chu Zeng; Xue-Mei Li; Ru-Gang Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3802 - o3804
• a: 7.485 ± 0.003 Å
• b: 8.509 ± 0.004 Å
• c: 16.377 ± 0.007 Å
• α: 82.938 ± 0.006°
• β: 78.218 ± 0.006°
• γ: 83.095 ± 0.006°
• Cell volume: 1008.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes