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Information card for entry 2013814
Preview
Coordinates | 2013814.cif |
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Structure factors | 2013814.hkl |
Original IUCr paper | HTML |
Common name | 4-{1-[(2,4-dinitrophenyl)-hydrazono]ethyl}benzene-1,3-diol N,N-dimethylformamide solvate |
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Chemical name | 2,4-dihydroxyacetophenone 2,4-dinitrophenylhydrazone N,N-dimethylformamide solvate |
Formula | C17 H19 N5 O7 |
Calculated formula | C17 H19 N5 O7 |
SMILES | Oc1cc(O)c(cc1)/C(=N/Nc1ccc(N(=O)=O)cc1N(=O)=O)C.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 | 7.928 ± 0.001 Å |
b | 9.146 ± 0.001 Å |
c | 14.362 ± 0.002 Å |
α | 104.45 ± 0.01° |
β | 91.04 ± 0.01° |
γ | 108.8 ± 0.01° |
Cell volume | 949.1 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 288 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.079 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.123 |
Weighted residual factors for all reflections included in the refinement | 0.142 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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