Information card for entry 7160239

Structure parameters

• Formula: C14 H17 Br N2 O2
• Calculated formula: C14 H17 Br N2 O2
• Title of publication: The study of the photochemical behavior of 5-aryl-2,3-dihydropyrazine 1,4-dioxides.
• Authors of publication: Bakuleva, Nadezhda A.; Lichitskii, Boris V.; Komogortsev, Andrey N.; Tretyakov, Evgeny V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• a: 10.54497 ± 0.00006 Å
• b: 7.19449 ± 0.00004 Å
• c: 18.5694 ± 0.00011 Å
• α: 90°
• β: 100.39 ± 0.0006°
• γ: 90°
• Cell volume: 1385.68 ± 0.014 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 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: 0.0272
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No