Information card for entry 7213128

Structure parameters

• Chemical name: N,N'-di-(p-chlorobenzoyl)-N,N'-diethoxyhydrazine
• Formula: C18 H18 Cl2 N2 O4
• Calculated formula: C18 H18 Cl2 N2 O4
• SMILES: Clc1ccc(C(=O)N(OCC)N(OCC)C(=O)c2ccc(Cl)cc2)cc1
• Title of publication: Structure, conformation, anomeric effects and rotational barriers in the HERON amides, N,N ′-diacyl-N,N ′-dialkoxyhydrazines
• Authors of publication: Glover, Stephen A.; Mo, Guoning; Rauk, Arvi; Tucker, David J.; Turner, Peter
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 2053
• a: 8.1227 ± 0.0005 Å
• b: 10.188 ± 0.001 Å
• c: 22.116 ± 0.002 Å
• α: 90°
• β: 91.45 ± 0.006°
• γ: 90°
• Cell volume: 1829.6 ± 0.3 ų
• Cell temperature: 193.2 K
• Ambient diffraction temperature: 193.2 K
• Number of distinct elements: 5
• 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: 0.0591
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No