Information card for entry 2202870

Structure parameters

• Chemical name: 2-Chloro-3,4-dimethoxybenzaldehyde 2,4-dinitrophenylhydrazone
• Formula: C15 H13 Cl N4 O6
• Calculated formula: C15 H13 Cl N4 O6
• SMILES: Clc1c(/C=N/Nc2c(N(=O)=O)cc(N(=O)=O)cc2)ccc(OC)c1OC
• Title of publication: 2-Chloro-3,4-dimethoxybenzaldehyde 2,4-dinitrophenylhydrazone
• Authors of publication: Shang Shan; Wei-Rong Chen; Wei-Xiao Hu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1723 - o1725
• a: 7.8251 ± 0.0011 Å
• b: 16.1448 ± 0.0013 Å
• c: 13.2147 ± 0.0011 Å
• α: 90°
• β: 101.508 ± 0.013°
• γ: 90°
• Cell volume: 1635.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes