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Information card for entry 7223284
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Coordinates | 7223284.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | N-(2,3-difluorophenyl)-2,3-difluorobenzamide |
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Formula | C13 H7 F4 N O |
Calculated formula | C13 H7 F4 N O |
SMILES | Fc1c(C(=O)Nc2cccc(F)c2F)cccc1F |
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 | 5.0295 ± 0.0002 Å |
b | 8.838 ± 0.0004 Å |
c | 24.4547 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1087.03 ± 0.08 Å3 |
Cell temperature | 115 ± 2 K |
Ambient diffraction temperature | 115 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0489 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.1285 |
Weighted residual factors for all reflections included in the refinement | 0.1311 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
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/7223284.html
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