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Information card for entry 7223289
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Coordinates | 7223289.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | N-(2,4-difluorophenyl)-2,3-difluorobenzamide |
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Formula | C13 H7 F4 N O |
Calculated formula | C13 H7 F4 N O |
SMILES | Fc1c(cccc1F)C(=O)Nc1c(F)cc(F)cc1 |
Title of publication | Crystal structure landscape of conformationally flexible organo-fluorine compounds |
Authors of publication | Mondal, Pradip Kumar; Chopra, Deepak |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 1 |
Pages of publication | 48 |
a | 8.8818 ± 0.0007 Å |
b | 4.9233 ± 0.0003 Å |
c | 24.9499 ± 0.0018 Å |
α | 90° |
β | 94.162 ± 0.002° |
γ | 90° |
Cell volume | 1088.13 ± 0.13 Å3 |
Cell temperature | 115 ± 2 K |
Ambient diffraction temperature | 115 ± 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 | 0.063 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.1275 |
Weighted residual factors for all reflections included in the refinement | 0.1375 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7223289.html
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