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Information card for entry 8101752
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Coordinates | 8101752.cif |
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Chemical name | (E)-1-(1-nitrobutylidene)-2-(2,4-dinitrophenyl)hydrazine |
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Formula | C10 H11 N5 O6 |
Calculated formula | C10 H11 N5 O6 |
SMILES | O=N(=O)c1ccc(N/N=C(N(=O)=O)\CCC)c(N(=O)=O)c1 |
Title of publication | Crystal structure of (E)-1-(1-nitrobutylidene)-2-(2,4-dinitrophenyl)- hydrazine, C~1~0H~11~N~5~O~6~ |
Authors of publication | D.-S. Yang |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2005 |
Journal volume | 220 |
Journal issue | 2 |
Pages of publication | 213 - 214 |
a | 12.284 ± 0.002 Å |
b | 17.594 ± 0.003 Å |
c | 6.1338 ± 0.0007 Å |
α | 90° |
β | 94.67 ± 0.01° |
γ | 90° |
Cell volume | 1321.3 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0594 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0891 |
Weighted residual factors for all reflections included in the refinement | 0.0956 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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