Information card for entry 7250418

Structure parameters

• Formula: C17 H16 Cl N3 O
• Calculated formula: C17 H16 Cl N3 O
• Title of publication: Multifunctional 3-cyanopyridine compounds: synthesis based on a tandem reaction with 100% atom economy and their applications
• Authors of publication: Cao, Xi-Ying; Li, Zhong-Hao; Cao, Xiao-Hui; Li, Zong; Pang, Chu-Ming; Zhang, Zu-Qi; Wang, Zhao-Yang
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 7300 - 7306
• a: 7.1028 ± 0.0013 Å
• b: 8.8291 ± 0.0016 Å
• c: 12.7916 ± 0.0017 Å
• α: 90°
• β: 95.609 ± 0.013°
• γ: 90°
• Cell volume: 798.3 ± 0.2 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No