Information card for entry 8105213

Structure parameters

• Formula: C14 H8 Br Cl N2
• Calculated formula: C14 H8 Br Cl N2
• Title of publication: The crystal structure of 7-Bromo-2-(4-chloro-phenyl)-quinoxaline, C14H9BrClN2
• Authors of publication: Zhang, Lilei; Cheng, Tianyu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 311 - 313
• a: 17.1347 ± 0.0011 Å
• b: 3.8441 ± 0.0002 Å
• c: 18.4127 ± 0.0012 Å
• α: 90°
• β: 97.861 ± 0.002°
• γ: 90°
• Cell volume: 1201.4 ± 0.13 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.059
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No