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Information card for entry 7242801
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| Coordinates | 7242801.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Atrazine Fumaric acid cocrystal (dehydrate) |
|---|---|
| Formula | C10 H16 Cl N5 O2 |
| Calculated formula | C10 H16 Cl N5 O2 |
| Title of publication | Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility |
| Authors of publication | da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 24 |
| Pages of publication | 4252 - 4263 |
| a | 18.922 ± 0.013 Å |
| b | 6.297 ± 0.004 Å |
| c | 24.311 ± 0.016 Å |
| α | 90° |
| β | 104.748 ± 0.006° |
| γ | 90° |
| Cell volume | 2801 ± 3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0975 |
| Residual factor for significantly intense reflections | 0.0879 |
| Weighted residual factors for significantly intense reflections | 0.205 |
| Weighted residual factors for all reflections included in the refinement | 0.2112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.229 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242801.cif |
| 267102 | 2021-07-05 | cif/ Updating files of 7242798, 7242799, 7242800, 7242801 Original log message: Adding full bibliography for 7242798--7242801.cif. |
7242801.cif |
| 265079 | 2021-05-11 | cif/ Adding structures of 7242798, 7242799, 7242800, 7242801 via cif-deposit CGI script. |
7242801.cif |
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Users of the data should acknowledge the original authors of the
structural data.