Information card for entry 7160774

Structure parameters

• Chemical name: (E)-3-(2-(2-nitrophenyl)-2-oxoethylidene)-3,4-dihydroquinoxalin-2(1H)-one
• Formula: C34 H32 N6 O5 S
• Calculated formula: C34 H32 N6 O5 S
• Title of publication: Direct transition-metal-free synthesis of 2-heteroaryl-4-quinolones <i>via</i> ANRORC type rearrangement of 3-(2-(2-nitrophenyl)-2-oxoethyl)quinoxalin-2(1<i>H</i>)-ones.
• Authors of publication: Mamedov, Vakhid A.; Galimullina, Venera R.; Nikolaeva, Dariya V.; Syakaev, Victor V.; Babaeva, Olga B.; Rizvanov, Il'dar Kh; Gubaidullin, Aidar T.; Sinyashin, Oleg G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 41
• Pages of publication: 9388 - 9399
• a: 11.75 ± 0.005 Å
• b: 7.054 ± 0.005 Å
• c: 37.4 ± 0.016 Å
• α: 90°
• β: 91.7 ± 0.02°
• γ: 90°
• Cell volume: 3099 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.2769
• Residual factor for significantly intense reflections: 0.1137
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.2552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No