Information card for entry 7159283

Structure parameters

• Chemical name: 3-(3-methyl-4-nitroso-5-phenyl-1H-pyrazol-1-yl)quinoxalin-2-ol
• Formula: C18 H13 N5 O2
• Calculated formula: C18 H13 N5 O2
• Title of publication: Regioselective synthesis of novel nitroso-pyrazolylquinoxalines <i>via</i> HOAc-mediated cyclocondensation of 2-hydroxyimino-1,3-diketones with hydrazinylquinoxalines.
• Authors of publication: Bobrov, Pavel S.; Kirik, Sergei D.; Peterson, Ivan V.; Suboch, Georgii A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 17
• Pages of publication: 3604 - 3614
• a: 15.7306 ± 0.0009 Å
• b: 14.9839 ± 0.0008 Å
• c: 7.2686 ± 0.0005 Å
• α: 90°
• β: 111.748 ± 0.008°
• γ: 90°
• Cell volume: 1591.31 ± 0.19 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor R(I) for significantly intense reflections: 7.6
• Goodness-of-fit parameter for all reflections: 2.02
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No