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Information card for entry 7059942
Preview
Coordinates | 7059942.cif |
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Original paper (by DOI) | HTML |
Chemical name | 4-(2-hydroxy-5-nitrophenyl)carbonyl-5-trifluoromethyl-2H-1,2,3-triazol |
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Formula | C10 H5 F3 N4 O4 |
Calculated formula | C10 H5 F3 N4 O4 |
Title of publication | Hydrogen bonding interactions in fluorinated 1,2,3-triazole derivatives |
Authors of publication | Espitia Cogollo, E.; Piro, O. E.; Echeverría, G. A.; Tuttolomondo, M. E.; Pérez, H.; Jios, J. L.; Ulic, S. E. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 37 |
Pages of publication | 16006 - 16019 |
a | 5.0192 ± 0.0002 Å |
b | 17.4035 ± 0.0006 Å |
c | 13.0726 ± 0.0005 Å |
α | 90° |
β | 94.057 ± 0.004° |
γ | 90° |
Cell volume | 1139.05 ± 0.07 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0841 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1287 |
Weighted residual factors for all reflections included in the refinement | 0.1535 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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