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Information card for entry 2240369
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| Coordinates | 2240369.cif |
|---|---|
| Structure factors | 2240369.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-(2-Aminophenyl)-3-phenylurea |
|---|---|
| Formula | C13 H13 N3 O |
| Calculated formula | C13 H13 N3 O |
| SMILES | O=C(Nc1ccccc1)Nc1ccccc1N |
| Title of publication | Crystal structure of 1-(2-aminophenyl)-3-phenylurea |
| Authors of publication | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Omran, Omran A.; Albayati, Mustafa R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o88 - o89 |
| a | 16.1742 ± 0.0004 Å |
| b | 4.5667 ± 0.0001 Å |
| c | 16.3259 ± 0.0004 Å |
| α | 90° |
| β | 106.548 ± 0.001° |
| γ | 90° |
| Cell volume | 1155.93 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0553 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1288 |
| Weighted residual factors for all reflections included in the refinement | 0.136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240369.cif 2240369.hkl |
| 181323 | 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 2/24/03. |
2240369.cif 2240369.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240369.cif 2240369.hkl |
| 129519 | 2015-01-11 | cif/ hkl/ Adding structures of 2240369 via cif-deposit CGI script. |
2240369.cif 2240369.hkl |
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Users of the data should acknowledge the original authors of the
structural data.