Information card for entry 7157254

Structure parameters

• Formula: C25 H22.5 Cl0.5 N3 O3
• Calculated formula: C25 H22 Cl0.5 N3 O3
• Title of publication: Condensation of 1,2-dicarbonyl compounds with modified Huisgen zwitterions: synthesis of N-aryl-N-acyl hydrazones.
• Authors of publication: Liu, Jialin; Cao, Jilei; Liu, Rongfang; Li, Ruifeng; Qiao, Yan; Zhou, Rong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 530 - 537
• a: 8.3937 ± 0.0017 Å
• b: 9.26 ± 0.0019 Å
• c: 13.938 ± 0.003 Å
• α: 90.66 ± 0.03°
• β: 93.39 ± 0.03°
• γ: 95.51 ± 0.03°
• Cell volume: 1076.3 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No