Information card for entry 7156264

Structure parameters

• Formula: C15 H15 Cl N4
• Calculated formula: C15 H15 Cl N4
• Title of publication: Copper-catalyzed ambient-temperature decarboxylative annulation of isatins with amidine hydrochlorides: a facile access to 2-(1,3,5-triazin-2-yl)aniline derivatives.
• Authors of publication: Jia, Feng-Cheng; Xu, Cheng; Wang, Yu-Wei; Chen, Zhi-Peng; Chen, Yun-Feng; Wu, An-Xin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 4223 - 4226
• a: 10.585 ± 0.002 Å
• b: 8.8309 ± 0.0018 Å
• c: 15.039 ± 0.003 Å
• α: 90°
• β: 96.741 ± 0.003°
• γ: 90°
• Cell volume: 1396.1 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0784
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No