Information card for entry 2203792

Structure parameters

• Chemical name: 3-Chloroacetophenone 2,4-dinitrophenylhydrazone
• Formula: C14 H11 Cl N4 O4
• Calculated formula: C14 H11 Cl N4 O4
• SMILES: Clc1cc(C(=N/Nc2c(N(=O)=O)cc(N(=O)=O)cc2)/C)ccc1
• Title of publication: 3-Chloroacetophenone 2,4-dinitrophenylhydrazone
• Authors of publication: Zheng Fan; Shang Shan; Wei-Xiao Hu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o1102 - o1104
• a: 13.221 ± 0.001 Å
• b: 15.1466 ± 0.0011 Å
• c: 7.5827 ± 0.0006 Å
• α: 90°
• β: 105.324 ± 0.002°
• γ: 90°
• Cell volume: 1464.47 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.083
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes