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Information card for entry 7228025
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| Coordinates | 7228025.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tolazamide |
|---|---|
| Chemical name | N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide |
| Formula | C14 H21 N3 O3 S |
| Calculated formula | C14 H21 N3 O3 S |
| SMILES | S(=O)(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1 |
| Title of publication | Effect of pressure on two polymorphs of tolazamide: why no interconversion? |
| Authors of publication | Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 16 |
| Pages of publication | 2243 |
| a | 5.9122 ± 0.0003 Å |
| b | 8.617 ± 0.004 Å |
| c | 12.915 ± 0.0017 Å |
| α | 80.61 ± 0.019° |
| β | 85.576 ± 0.007° |
| γ | 85.688 ± 0.012° |
| Cell volume | 645.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Cell measurement pressure | 2720000 kPa |
| Ambient diffracton pressure | 2720000 kPa |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1297 |
| Residual factor for significantly intense reflections | 0.0727 |
| Weighted residual factors for significantly intense reflections | 0.1649 |
| Weighted residual factors for all reflections included in the refinement | 0.2127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211416 (current) | 2018-10-12 | cif/7/22/80/ Removing extra single quotes from the values of the _chemical_name_systematic data item in entries 7228014, 7228016, 7228017, 7228019, 7228022, 7228023, 7228025, 7228026. |
7228025.cif |
| 196382 | 2017-05-06 | cif/ Updating files of 7228012, 7228013, 7228014, 7228015, 7228016, 7228017, 7228018, 7228019, 7228020, 7228021, 7228022, 7228023, 7228024, 7228025, 7228026, 7228027, 7228028, 7228029 Original log message: Adding full bibliography for 7228012--7228029.cif. |
7228025.cif |
| 195252 | 2017-04-07 | cif/ Adding structures of 7228012, 7228013, 7228014, 7228015, 7228016, 7228017, 7228018, 7228019, 7228020, 7228021, 7228022, 7228023, 7228024, 7228025, 7228026, 7228027, 7228028, 7228029 via cif-deposit CGI script. |
7228025.cif |
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Users of the data should acknowledge the original authors of the
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