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Information card for entry 7249835
Preview
| Coordinates | 7249835.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H5 N O2 |
|---|---|
| Calculated formula | C5 H5 N O2 |
| Title of publication | Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions |
| Authors of publication | Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| Journal volume | 27 |
| Journal issue | 8 |
| Pages of publication | 1146 - 1156 |
| a | 8.115 ± 0.0008 Å |
| b | 9.1085 ± 0.0009 Å |
| c | 14.5497 ± 0.0014 Å |
| α | 74.156 ± 0.003° |
| β | 88.19 ± 0.003° |
| γ | 72.032 ± 0.003° |
| Cell volume | 982.5 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0837 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1826 |
| Weighted residual factors for all reflections included in the refinement | 0.1951 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298179 (current) | 2025-03-04 | cif/ Updating files of 7249835, 7249836, 7249837 Original log message: Adding full bibliography for 7249835--7249837.cif. |
7249835.cif |
| 297464 | 2025-01-25 | cif/ Adding structures of 7249835, 7249836, 7249837 via cif-deposit CGI script. |
7249835.cif |
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Users of the data should acknowledge the original authors of the
structural data.