Information card for entry 7151551

Structure parameters

• Formula: C16 H19 Cl N4 O
• Calculated formula: C16 H19 Cl N4 O
• SMILES: Clc1c(N(C)C)ccc(N=N(=O)c2ccc(N(C)C)cc2)c1
• Title of publication: Nitrenium ions.Part 5. For Part 4 see ref. 1 Reactions of N,N-dimethyl-p-benzoyloxyaniline-iminium chloride with indoles and indolizines. X-ray structure of unexpected [2-chloro-4-(4-dimethylaminophenyl-ONN-azoxy)phenyl]dimethylamine (azoxy derivative)
• Authors of publication: Greci, Lucedio; Castagna, Riccardo; Carloni, Patricia; Stipa, Pierluigi; Rizzoli, Corrado; Righi, Lara; Sgarabotto, Paolo
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 21
• Pages of publication: 3768
• a: 25.207 ± 0.004 Å
• b: 7.631 ± 0.002 Å
• c: 17 ± 0.003 Å
• α: 90 ± 0°
• β: 95.5 ± 0.1°
• γ: 90 ± 0°
• Cell volume: 3255 ± 1.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections: 0.87
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No