Information card for entry 7160021

Structure parameters

• Chemical name: z
• Formula: C17 H18 Cl N2 O S
• Calculated formula: C17 H17 Cl N2 O S
• Title of publication: Electrochemical oxidative thioetherification of aldehyde hydrazones with thiophenols.
• Authors of publication: Hu, Meiqian; Yang, Xiaolin; Zhang, Shuai; Qin, Changsheng; Zhang, Zhihua; Wang, Jingfang; Ji, Fanghua; Jiang, Guangbin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 29
• Pages of publication: 5907 - 5912
• a: 5.3567 ± 0.0002 Å
• b: 14.2027 ± 0.0005 Å
• c: 21.0025 ± 0.0008 Å
• α: 90°
• β: 90.995 ± 0.004°
• γ: 90°
• Cell volume: 1597.62 ± 0.1 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No