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Information card for entry 7211132
Preview
| Coordinates | 7211132.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | SalicylamidE HNO3 salt |
|---|---|
| Formula | C7 H8 N2 O5 |
| Calculated formula | C7 H8 N2 O5 |
| SMILES | O=N(=O)[O-].OC(=[NH2+])c1c(O)cccc1 |
| Title of publication | Synthon preference in O-protonated amide crystals – dominance of short strong hydrogen bonds |
| Authors of publication | Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 44 |
| Pages of publication | 8941 |
| a | 10.2073 ± 0.0007 Å |
| b | 5.0535 ± 0.0003 Å |
| c | 16.909 ± 0.0011 Å |
| α | 90° |
| β | 104.791 ± 0.001° |
| γ | 90° |
| Cell volume | 843.31 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.037 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.0893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7211132.cif |
| 180442 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/11. |
7211132.cif |
| 90212 | 2013-11-17 | cif/ Adding structures of 7211127, 7211128, 7211129, 7211130, 7211131, 7211132, 7211133, 7211134, 7211135, 7211136, 7211137, 7211138 via cif-deposit CGI script. |
7211132.cif |
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Users of the data should acknowledge the original authors of the
structural data.