Information card for entry 7161213

Structure parameters

• Chemical name: 3-(2-bromophenyl)-6,7-dichloro-1-methylquinoxalin-2(1H)-one
• Formula: C15 H9 Br Cl2 N2 O
• Calculated formula: C15 H9 Br Cl2 N2 O
• Title of publication: A Sustainable Photocatalytic Regioselective Halogenation of 1-Alkyl/Benzyl-3-Phenylquinoxalin-2(1H)-ones in Aqueous Media
• Authors of publication: Monika, Monika; Kumar, Prashant; Singh, Brajendra Kumar
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 6.8975 ± 0.0007 Å
• b: 31.1454 ± 0.0018 Å
• c: 7.4421 ± 0.0007 Å
• α: 90°
• β: 111.773 ± 0.011°
• γ: 90°
• Cell volume: 1484.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No