Information card for entry 7235904

Structure parameters

• Formula: C16 H14 N2 O
• Calculated formula: C16 H14 N2 O
• Title of publication: Synthesis of polysubstituted 4-aminopyrazoles and 4-hydroxypyrazoles from vinyl azides and hydrazines
• Authors of publication: Huang, Wei; Liu, Shen; Chen, Binhui; Guo, Xiao; Yu, Yongping
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 41
• Pages of publication: 32740
• a: 13.1976 ± 0.0017 Å
• b: 10.5014 ± 0.0008 Å
• c: 9.8453 ± 0.0011 Å
• α: 90°
• β: 108.284 ± 0.014°
• γ: 90°
• Cell volume: 1295.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0769
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No