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Information card for entry 2241342
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| Coordinates | 2241342.cif |
|---|---|
| Structure factors | 2241342.hkl |
| Original IUCr paper | HTML |
| Chemical name | Phenyl <i>N</i>-(4-nitrophenyl)carbamate |
|---|---|
| Formula | C13 H10 N2 O4 |
| Calculated formula | C13 H10 N2 O4 |
| SMILES | O=N(=O)c1ccc(NC(=O)Oc2ccccc2)cc1 |
| Title of publication | Crystal structure of phenyl <i>N</i>-(4-nitrophenyl)carbamate |
| Authors of publication | AaminaNaaz, Y.; Sathiyaraj, Subramaniyan; Kalaimani, Sundararaj; Nasar, A. Sultan; SubbiahPandi, A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o969 - o970 |
| a | 9.6722 ± 0.0003 Å |
| b | 10.2543 ± 0.0005 Å |
| c | 12.4787 ± 0.0006 Å |
| α | 84.625 ± 0.003° |
| β | 79.386 ± 0.003° |
| γ | 77.955 ± 0.003° |
| Cell volume | 1187.73 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1105 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1034 |
| Weighted residual factors for all reflections included in the refinement | 0.1269 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241342.cif 2241342.hkl |
| 170459 | 2015-11-22 | cif/ hkl/ Adding structures of 2241342 via cif-deposit CGI script. |
2241342.cif 2241342.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.