Information card for entry 2219011

Structure parameters

• Chemical name: 2,4-Dichlorobenzaldehyde 2,4-dinitrophenylhydrazone
• Formula: C13 H8 Cl2 N4 O4
• Calculated formula: C13 H8 Cl2 N4 O4
• SMILES: c1(cc(ccc1N/N=C/c1c(cc(cc1)Cl)Cl)N(=O)=O)N(=O)=O
• Title of publication: 2,4-Dichlorobenzaldehyde 2,4-dinitrophenylhydrazone
• Authors of publication: Bao, Feng-yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1433
• a: 13.3814 ± 0.0007 Å
• b: 28.998 ± 0.0013 Å
• c: 7.3996 ± 0.0003 Å
• α: 90°
• β: 92.422 ± 0.004°
• γ: 90°
• Cell volume: 2868.7 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1176
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes