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Information card for entry 8107355
Preview
| Coordinates | 8107355.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H15 N5 O2 |
|---|---|
| Calculated formula | C10 H15 N5 O2 |
| SMILES | O=C(OCC)C1=C(Nc2nnnn2C1CC)C |
| Title of publication | The crystal structure of ethyl 7-ethyl-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate, C10H15N5O2 |
| Authors of publication | Wang, Wenxiang; Mou, Jiahui; Sun, Yue |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 1 |
| Pages of publication | 69 - 70 |
| a | 8.0501 ± 0.0016 Å |
| b | 8.6163 ± 0.0017 Å |
| c | 9.6654 ± 0.0019 Å |
| α | 69.74 ± 0.03° |
| β | 75.79 ± 0.03° |
| γ | 87.43 ± 0.03° |
| Cell volume | 609.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1058 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1407 |
| Weighted residual factors for all reflections included in the refinement | 0.163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284459 (current) | 2023-06-13 | cif/ Adding structures of 8107355 via cif-deposit CGI script. |
8107355.cif |
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Users of the data should acknowledge the original authors of the
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