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Information card for entry 7246782
Preview
| Coordinates | 7246782.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H22 N6 O7 |
|---|---|
| Calculated formula | C19 H22 N6 O7 |
| SMILES | O=C1NC(=O)NC(=C1)C(=O)[O-].O(c1cc(Cc2c[nH+]c(nc2N)N)cc(OC)c1OC)C |
| Title of publication | Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation |
| Authors of publication | Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 23 |
| Pages of publication | 3445 - 3459 |
| a | 7.0878 ± 0.0006 Å |
| b | 7.5969 ± 0.0007 Å |
| c | 18.9464 ± 0.0014 Å |
| α | 91.152 ± 0.007° |
| β | 98.566 ± 0.007° |
| γ | 103.763 ± 0.008° |
| Cell volume | 978.19 ± 0.15 Å3 |
| Cell temperature | 113.15 K |
| Ambient diffraction temperature | 113.15 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 | 0.1172 |
| Residual factor for significantly intense reflections | 0.0757 |
| Weighted residual factors for significantly intense reflections | 0.1892 |
| Weighted residual factors for all reflections included in the refinement | 0.2146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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 |
|---|---|---|---|
| 284924 (current) | 2023-07-05 | cif/ Updating files of 7246781, 7246782, 7246783, 7246784, 7246785 Original log message: Adding full bibliography for 7246781--7246785.cif. |
7246782.cif |
| 283733 | 2023-05-13 | cif/ Adding structures of 7246781, 7246782, 7246783, 7246784, 7246785 via cif-deposit CGI script. |
7246782.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.