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Information card for entry 1543279
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| Coordinates | 1543279.cif |
|---|---|
| Structure factors | 1543279.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(5-Chloro-2-hydroxyphenyl)-<i>N</i>'-(3-hydroxypropyl)ethanediamide |
|---|---|
| Formula | C11 H13 Cl N2 O4 |
| Calculated formula | C11 H13 Cl N2 O4 |
| SMILES | Clc1ccc(O)c(NC(=O)C(=O)NCCCO)c1 |
| Title of publication | <i>N</i>-(5-Chloro-2-hydroxyphenyl)-<i>N</i>'-(3-hydroxypropyl)oxalamide |
| Authors of publication | Wang, Chang-Kai; Zheng, Kang; Li, Yan-Tuan; Wu, Zhi-Yong |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | x160737 |
| a | 6.1422 ± 0.0014 Å |
| b | 18.117 ± 0.004 Å |
| c | 11.061 ± 0.002 Å |
| α | 90° |
| β | 98.896 ± 0.008° |
| γ | 90° |
| Cell volume | 1216 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1042 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.1065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182864 (current) | 2016-05-11 | cif/ hkl/ Adding structures of 1543279 via cif-deposit CGI script. |
1543279.cif 1543279.hkl |
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Users of the data should acknowledge the original authors of the
structural data.