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Information card for entry 7246588
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| Coordinates | 7246588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Hydroxyurea |
|---|---|
| Formula | C H4 N2 O2 |
| Calculated formula | C H4 N2 O2 |
| SMILES | O=C(NO)N |
| Title of publication | Polymorph II of hydroxyurea 150 years after its first synthesis |
| Authors of publication | Rai, Sunil K.; Tothadi, Srinu; Arhangelskis, Mihails; George, Christy P.; Gonnade, Rajesh G.; Nangia, Ashwini K. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 18 |
| Pages of publication | 2712 - 2716 |
| a | 8.3422 ± 0.001 Å |
| b | 4.8944 ± 0.0006 Å |
| c | 8.7962 ± 0.001 Å |
| α | 90° |
| β | 122.423 ± 0.003° |
| γ | 90° |
| Cell volume | 303.16 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0598 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1743 |
| Weighted residual factors for all reflections included in the refinement | 0.1745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284261 (current) | 2023-06-05 | cif/ Updating files of 7246587, 7246588 Original log message: Adding full bibliography for 7246587--7246588.cif. |
7246588.cif |
| 282598 | 2023-04-12 | cif/ Adding structures of 7246587, 7246588 via cif-deposit CGI script. |
7246588.cif |
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Users of the data should acknowledge the original authors of the
structural data.