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Information card for entry 2241588
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| Coordinates | 2241588.cif |
|---|---|
| Structure factors | 2241588.hkl |
| Original IUCr paper | HTML |
| Common name | Isonicotinamide Hydrochloride |
|---|---|
| Chemical name | 4-Carbamoylpyridinium chloride |
| Formula | C6 H7 Cl N2 O |
| Calculated formula | C6 H7 Cl N2 O |
| SMILES | [Cl-].c1cc(cc[nH+]1)C(=O)N |
| Title of publication | Crystal structure of 4-carbamoylpyridinium chloride |
| Authors of publication | Fellows, Simon M.; Prior, Timothy J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 436 - 439 |
| a | 24.96 ± 0.002 Å |
| b | 5.1055 ± 0.0004 Å |
| c | 12.4664 ± 0.0009 Å |
| α | 90° |
| β | 117.545 ± 0.005° |
| γ | 90° |
| Cell volume | 1408.6 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181916 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15. |
2241588.cif 2241588.hkl |
| 177591 | 2016-03-05 | cif/ hkl/ Adding structures of 2241588 via cif-deposit CGI script. |
2241588.cif 2241588.hkl |
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.
Users of the data should acknowledge the original authors of the
structural data.