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Information card for entry 2240556
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| Coordinates | 2240556.cif |
|---|---|
| Structure factors | 2240556.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 2-({[2-(methoxycarbonyl)phenyl]carbamoyl}amino)benzoate |
|---|---|
| Formula | C17 H16 N2 O5 |
| Calculated formula | C17 H16 N2 O5 |
| SMILES | COC(=O)c1ccccc1NC(=O)Nc1ccccc1C(=O)OC |
| Title of publication | Crystal stucture of methyl 2-({[2-(methoxycarbonyl)phenyl]carbamoyl}amino)benzoate |
| Authors of publication | Yassine, Hasna; Khouili, Mostafa; El Ammari, Lahcen; Saadi, Mohamed; Ketatni, El Mostafa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o297 - o298 |
| a | 9.005 ± 0.008 Å |
| b | 23.8 ± 0.02 Å |
| c | 7.4 ± 0.007 Å |
| α | 90° |
| β | 93.66 ± 0.04° |
| γ | 90° |
| Cell volume | 1583 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1218 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1076 |
| Weighted residual factors for all reflections included in the refinement | 0.1373 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240556.cif 2240556.hkl |
| 181325 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/05. |
2240556.cif 2240556.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2240556.cif 2240556.hkl |
| 135210 | 2015-04-10 | cif/ hkl/ Adding structures of 2240556 via cif-deposit CGI script. |
2240556.cif 2240556.hkl |
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Users of the data should acknowledge the original authors of the
structural data.