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Information card for entry 2244138
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Coordinates | 2244138.cif |
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Structure factors | 2244138.hkl |
Original IUCr paper | HTML |
Chemical name | 2-Azido-<i>N</i>-(4-fluorophenyl)acetamide |
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Formula | C8 H7 F N4 O |
Calculated formula | C8 H7 F N4 O |
SMILES | Fc1ccc(NC(=O)CN=N#N)cc1 |
Title of publication | Crystal structure and Hirshfeld surface analysis of 2-azido-<i>N</i>-(4-fluorophenyl)acetamide |
Authors of publication | Missioui, Mohcine; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2022 |
Journal volume | 78 |
Journal issue | 8 |
Pages of publication | 855 - 859 |
a | 10.8398 ± 0.0007 Å |
b | 19.0207 ± 0.0011 Å |
c | 9.3307 ± 0.0005 Å |
α | 90° |
β | 112.378 ± 0.002° |
γ | 90° |
Cell volume | 1778.93 ± 0.18 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.065 |
Residual factor for significantly intense reflections | 0.0533 |
Weighted residual factors for significantly intense reflections | 0.1485 |
Weighted residual factors for all reflections included in the refinement | 0.1622 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
277011 (current) | 2022-07-30 | cif/ hkl/ Adding structures of 2244138 via cif-deposit CGI script. |
2244138.cif 2244138.hkl |
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Users of the data should acknowledge the original authors of the
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