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Information card for entry 7246249
Preview
Coordinates | 7246249.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | pyridin-2(1<i>H</i>)-one – perfluorobenzoic acid |
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Formula | C12 H6 F5 N O3 |
Calculated formula | C12 H6 F5 N O3 |
Title of publication | Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences |
Authors of publication | Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 9 |
Pages of publication | 1403 - 1410 |
a | 13.275 ± 0.002 Å |
b | 5.3902 ± 0.0005 Å |
c | 16.953 ± 0.002 Å |
α | 90° |
β | 102.829 ± 0.011° |
γ | 90° |
Cell volume | 1182.8 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
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 | 0.039 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.0989 |
Weighted residual factors for all reflections included in the refinement | 0.1025 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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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The link is: https://www.crystallography.net/7246249.html
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