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Information card for entry 2239850
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| Coordinates | 2239850.cif |
|---|---|
| Structure factors | 2239850.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>E</i>)-2-(2-Nitrobenzylidene)-2,2-diphenylhydrazine |
|---|---|
| Formula | C19 H15 N3 O2 |
| Calculated formula | C19 H15 N3 O2 |
| SMILES | N(=C\c1ccccc1N(=O)=O)/N(c1ccccc1)c1ccccc1 |
| Title of publication | Crystal structure of (<i>E</i>)-1-(2-nitrobenzylidene)-2,2-diphenylhydrazine |
| Authors of publication | Flores-Alamo, Marcos; Meléndrez-Luévano, Ruth; Ortiz Márquez, José A.; Sansinenea Royano, Estibaliz; Cabrera-Vivas, Blanca M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | o909 - o910 |
| a | 11.8536 ± 0.0005 Å |
| b | 12.4293 ± 0.0003 Å |
| c | 11.9492 ± 0.0005 Å |
| α | 90° |
| β | 118.584 ± 0.005° |
| γ | 90° |
| Cell volume | 1545.92 ± 0.12 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.0542 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181898 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/98. |
2239850.cif 2239850.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. |
2239850.cif 2239850.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. |
2239850.cif 2239850.hkl |
| 121832 | 2014-08-10 | cif/ hkl/ Adding structures of 2239850 via cif-deposit CGI script. |
2239850.cif 2239850.hkl |
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