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Information card for entry 2242089
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| Coordinates | 2242089.cif |
|---|---|
| Structure factors | 2242089.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 4,4'-Dinitro-[1,1'-biphenyl]-2-amine |
|---|---|
| Formula | C12 H9 N3 O4 |
| Calculated formula | C12 H9 N3 O4 |
| SMILES | O=N(=O)c1cc(N)c(c2ccc(N(=O)=O)cc2)cc1 |
| Title of publication | Crystal structure of 4,4'-dinitro-[1,1'-biphenyl]-2-amine |
| Authors of publication | Faizi, Md. Serajul Haque; Haque, Ashanul; Dege, Necmi; Hasan, Syed Imran; Dege, Mustafa; Kalibabchuk, Valentina A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 4 |
| Pages of publication | 550 - 552 |
| a | 14.294 ± 0.0011 Å |
| b | 7.0352 ± 0.0006 Å |
| c | 11.6043 ± 0.0009 Å |
| α | 90° |
| β | 99.437 ± 0.006° |
| γ | 90° |
| Cell volume | 1151.15 ± 0.16 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.1314 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0725 |
| Weighted residual factors for all reflections included in the refinement | 0.0924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.812 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194410 (current) | 2017-03-22 | cif/ hkl/ Adding structures of 2242089 via cif-deposit CGI script. |
2242089.cif 2242089.hkl |
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Users of the data should acknowledge the original authors of the
structural data.