Information card for entry 7161203

Structure parameters

• Formula: C14 H15 Cl N2
• Calculated formula: C14 H15 Cl N2
• Title of publication: Direct C4-H Amination of Pyridines and Quinolines under Benign Conditions
• Authors of publication: Han, Tong; Xu, Fenlian; Nie, Xinqiao; Wang, Dong
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 9.6537 ± 0.0011 Å
• b: 15.3596 ± 0.0018 Å
• c: 8.5643 ± 0.0009 Å
• α: 90°
• β: 96.813 ± 0.002°
• γ: 90°
• Cell volume: 1260.9 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No