Information card for entry 7131490

Structure parameters

• Formula: C14 H9 Cl N2
• Calculated formula: C14 H9 Cl N2
• SMILES: Clc1cc2ncc(nc2cc1)c1ccccc1
• Title of publication: DMSO/<i>t</i>BuONa/O₂-mediated efficient syntheses of diverse quinoxalines through α-imino radicals.
• Authors of publication: Zhang, Chihong; Zhang, Zhen; Wang, Deliang; Wang, Wenkun; Jin, Bo; Wen, Tao; Ye, Lihua; Chen, Zhong-Ning; Cai, Hu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 35
• Pages of publication: 5217 - 5220
• a: 9.5545 ± 0.0014 Å
• b: 4.7731 ± 0.0007 Å
• c: 12.5151 ± 0.0018 Å
• α: 90°
• β: 103.509 ± 0.002°
• γ: 90°
• Cell volume: 554.96 ± 0.14 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No