Information card for entry 7125768

Structure parameters

• Formula: C18 H19 Cl N2
• Calculated formula: C18 H19 Cl N2
• Title of publication: Metal-free cyclization of unsaturated hydrazones for the divergent assembly of pyrazolones and pyrazolines.
• Authors of publication: Liu, Xiaobing; Zhou, Yao; Song, Qiuling
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 61
• Pages of publication: 8943 - 8946
• a: 8.2526 ± 0.0009 Å
• b: 9.1103 ± 0.001 Å
• c: 21.0646 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1583.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No