Information card for entry 2013813

Structure parameters

• Common name: 4-[(2,4-dinitrophenyl)hydrazonomethyl]benzene-1,3-diol N,N-dimethylformamide solvate
• Chemical name: 2,4-dihydroxybenzaldehyde 2,4-dinitrophenylhydrazone N,N-dimethylformamide solvate
• Formula: C16 H17 N5 O7
• Calculated formula: C16 H17 N5 O7
• SMILES: Oc1cc(O)c(cc1)C=NNc1ccc(N(=O)=O)cc1N(=O)=O.O=CN(C)C
• Title of publication: 2,4-Dinitrophenylhydrazones of 2,4-dihydroxybenzaldehyde, 2,4-dihydroxyacetophenone and 2,4-dihydroxybenzophenone
• Authors of publication: Baughman, Russell G.; Martin, Kenneth L.; Singh, Rajendra K.; Stoffer, James O.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o103 - o106
• a: 19.697 ± 0.004 Å
• b: 7.152 ± 0.001 Å
• c: 12.949 ± 0.003 Å
• α: 90°
• β: 100.34 ± 0.02°
• γ: 90°
• Cell volume: 1794.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.109
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes