Information card for entry 7233383

Structure parameters

• Chemical name: 3-bromo-2-(1-phenetyl)-4-nitro-1H-pyrazol-3-yl)selanyl)pyridine
• Formula: C16 H13 Br N4 O2 Se
• Calculated formula: C16 H13 Br N4 O2 Se
• Title of publication: Copper-catalyzed direct C‒H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides
• Authors of publication: Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 44
• Pages of publication: 25368
• a: 7.8948 ± 0.0005 Å
• b: 7.9369 ± 0.0006 Å
• c: 31.3002 ± 0.0016 Å
• α: 83.404 ± 0.005°
• β: 89.627 ± 0.005°
• γ: 60.612 ± 0.007°
• Cell volume: 1694.8 ± 0.2 ų
• Cell temperature: 298 ± 3 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1642
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No