Information card for entry 2229679

Structure parameters

• Chemical name: 4-[2-(Benzylsulfanyl)acetyl]-3,4-dihydroquinoxalin-2(1<i>H</i>)-one
• Formula: C17 H16 N2 O2 S
• Calculated formula: C17 H16 N2 O2 S
• SMILES: S(CC(=O)N1CC(=O)Nc2c1cccc2)Cc1ccccc1
• Title of publication: 4-[2-(Benzylsulfanyl)acetyl]-3,4-dihydroquinoxalin-2(1<i>H</i>)-one
• Authors of publication: Nasir, Waqar; Munawar, Munawar Ali; Nadeem, Sohail; Amjad, Rana; Adnan, Ahmad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o848
• a: 13.9502 ± 0.0008 Å
• b: 32.2588 ± 0.0017 Å
• c: 6.9728 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3137.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes