Information card for entry 2208550

Structure parameters

• Chemical name: 3-[(2,4-Dinitrophenyl)hydrazonomethyl]phenol dimethylformamide solvate
• Formula: C16 H17 N5 O6
• Calculated formula: C16 H17 N5 O6
• SMILES: N(=C/c1cc(O)ccc1)\Nc1c(N(=O)=O)cc(N(=O)=O)cc1.C(=O)N(C)C
• Title of publication: 3-[(2,4-Dinitrophenyl)hydrazonomethyl]phenol dimethylformamide solvate
• Authors of publication: Jing, Zuo-Liang; Sun, Jia-Cui; Chen, Xin; Yu Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1202 - o1204
• a: 17.701 ± 0.004 Å
• b: 7.0661 ± 0.0018 Å
• c: 14.695 ± 0.004 Å
• α: 90°
• β: 104.607 ± 0.004°
• γ: 90°
• Cell volume: 1778.6 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No