Information card for entry 7134882

Structure parameters

• Formula: C16 H14 N2 O2
• Calculated formula: C16 H14 N2 O2
• Title of publication: Three-component reaction of isocyanates and 3-aminoacrylates: selective synthesis of <i>N</i>-2-aryl-1,2,3-triazoles and hydrazones.
• Authors of publication: Huang, Jie; Ren, Weijie; Chen, Jiehao; Xiao, Xiangrong; Li, Jiaqi; Wang, Dongyi; Yu, Wanyue; Zhao, Juan; Chen, Xiuwen; Zhu, Zhongzhi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 72
• Pages of publication: 13667 - 13670
• a: 5.9207 ± 0.0011 Å
• b: 8.0892 ± 0.0014 Å
• c: 15.695 ± 0.003 Å
• α: 77.953 ± 0.005°
• β: 85.273 ± 0.005°
• γ: 68.989 ± 0.005°
• Cell volume: 686.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1399
• 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