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Information card for entry 2242947
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| Coordinates | 2242947.cif |
|---|---|
| Structure factors | 2242947.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(2-Methoxyphenyl)acetamide |
|---|---|
| Formula | C9 H11 N O2 |
| Calculated formula | C9 H11 N O2 |
| SMILES | O(c1c(NC(=O)C)cccc1)C |
| Title of publication | Hirshfeld surface analysis and crystal structure of <i>N</i>-(2-methoxyphenyl)acetamide |
| Authors of publication | Yaman, Mavise; Dege, Necmi; Ayoob, Mzgin M.; Hussein, Awaz J.; Samad, Mohammed K.; Fritsky, Igor O. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| Pages of publication | 830 - 833 |
| a | 9.5115 ± 0.0007 Å |
| b | 18.7385 ± 0.0019 Å |
| c | 10.0216 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1786.2 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0807 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1306 |
| Weighted residual factors for all reflections included in the refinement | 0.1476 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215395 (current) | 2019-05-22 | cif/ hkl/ Adding structures of 2242947 via cif-deposit CGI script. |
2242947.cif 2242947.hkl |
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