Information card for entry 7159805

Structure parameters

• Formula: C11 H9 N3
• Calculated formula: C11 H9 N3
• SMILES: n12nc3c(c1cncc2C)cccc3
• Title of publication: Synthesis of pyrazino[1,2-<i>b</i>]indazoles <i>via</i> cascade cyclization of indazole aldehydes with propargylic amines.
• Authors of publication: Wu, Zeng-Hui; Qu, Heng-Tong; Han, Ben-Jun; Yang, Jia-Xin; Chang, Xiang-Wei; Feng, Cheng-Tao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 11
• Pages of publication: 2226 - 2230
• a: 13.009 ± 0.003 Å
• b: 15.324 ± 0.003 Å
• c: 4.6638 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 929.7 ± 0.3 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2056
• Weighted residual factors for all reflections included in the refinement: 0.2102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No