Information card for entry 7135778

Structure parameters

• Formula: C23 H15 Br N2
• Calculated formula: C23 H15 Br N2
• Title of publication: Catalyst-free synthesis of pyrazolo[5,1-<i>a</i>]isoquinolines from hydrazine hydrate.
• Authors of publication: Mao, Yangxin; Qiu, Shaotong; Wang, Xinlei; Shangguan, Yimin; Liu, Jiangan; Yang, Zhicheng; Zhao, Yun-Hui; Li, Xiaofang; Zheng, Baishu; Zhou, Hu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 29
• Pages of publication: 7563 - 7566
• a: 7.9816 ± 0.0004 Å
• b: 10.6623 ± 0.0005 Å
• c: 11.8043 ± 0.0005 Å
• α: 106.078 ± 0.002°
• β: 109.297 ± 0.002°
• γ: 96.22 ± 0.002°
• Cell volume: 888.65 ± 0.07 ų
• Cell temperature: 296.15 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: 0.0407
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No