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Information card for entry 2239873
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| Coordinates | 2239873.cif |
|---|---|
| Structure factors | 2239873.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 4-Methoxy-<i>N</i>-phenylbenzamide |
|---|---|
| Formula | C14 H13 N O2 |
| Calculated formula | C14 H13 N O2 |
| SMILES | N(c1ccccc1)C(=O)c1ccc(OC)cc1 |
| Title of publication | Crystal structure of 4-methoxy-<i>N</i>-phenylbenzamide |
| Authors of publication | Wang, Zhijun; Lei, Haiying; Jin, Linhua; Zhu, Ruitao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | o921 |
| a | 5.308 ± 0.003 Å |
| b | 7.709 ± 0.004 Å |
| c | 14.109 ± 0.007 Å |
| α | 96.911 ± 0.008° |
| β | 99.21 ± 0.008° |
| γ | 90.511 ± 0.009° |
| Cell volume | 565.5 ± 0.5 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 | 0.0478 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2239873.cif 2239873.hkl |
| 181898 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/98. |
2239873.cif 2239873.hkl |
| 181317 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/98. |
2239873.cif 2239873.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239873.cif 2239873.hkl |
| 121855 | 2014-08-10 | cif/ hkl/ Adding structures of 2239873 via cif-deposit CGI script. |
2239873.cif 2239873.hkl |
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