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Information card for entry 7210458
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Coordinates | 7210458.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | NpmF |
---|---|
Formula | C12 H9 F N2 O |
Calculated formula | C12 H9 F N2 O |
SMILES | Fc1cc(NC(=O)c2ccncc2)ccc1 |
Title of publication | Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides |
Authors of publication | Mocilac, Pavle; Lough, Alan J.; Gallagher, John F. |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 6 |
Pages of publication | 1899 |
a | 11.0723 ± 0.0007 Å |
b | 12.8655 ± 0.0008 Å |
c | 7.9596 ± 0.0003 Å |
α | 90° |
β | 114.444 ± 0.004° |
γ | 90° |
Cell volume | 1032.22 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0553 |
Residual factor for significantly intense reflections | 0.0418 |
Weighted residual factors for significantly intense reflections | 0.1021 |
Weighted residual factors for all reflections included in the refinement | 0.1133 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7210458.html
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