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Information card for entry 8106825
Preview
| Coordinates | 8106825.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H14 N2 O2 |
|---|---|
| Calculated formula | C14 H14 N2 O2 |
| SMILES | O=C(Nc1ccc(OC)cc1)c1c(N)cccc1 |
| Title of publication | Crystal structure of 2-amino-N-(4-methoxyphenyl)benzamide, C14H14N2O2 |
| Authors of publication | Mabkhot, Yahia Nasser; Barakat, Assem; Ghabbour, Hazem A.; Fun, Hoong-Kun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 203 - 204 |
| a | 13.5536 ± 0.0009 Å |
| b | 5.073 ± 0.0003 Å |
| c | 17.6641 ± 0.0012 Å |
| α | 90° |
| β | 100.448 ± 0.002° |
| γ | 90° |
| Cell volume | 1194.4 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0665 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1135 |
| Weighted residual factors for all reflections included in the refinement | 0.125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281258 (current) | 2023-03-02 | cif/ Adding structures of 8106825 via cif-deposit CGI script. |
8106825.cif |
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Users of the data should acknowledge the original authors of the
structural data.