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Information card for entry 2227286
Preview
| Coordinates | 2227286.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (1<i>E</i>)-1-(3-Bromophenyl)ethanone 2,4-dinitrophenylhydrazone |
|---|---|
| Formula | C14 H11 Br N4 O4 |
| Calculated formula | C14 H11 Br N4 O4 |
| Title of publication | (1<i>E</i>)-1-(3-Bromophenyl)ethanone 2,4-dinitrophenylhydrazone |
| Authors of publication | Jasinski, Jerry P.; Guild, Curtis J.; Chidan Kumar, C. S.; Yathirajan, H. S.; Mayekar, A. N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | o2832 - o2833 |
| a | 7.7546 ± 0.0009 Å |
| b | 13.4362 ± 0.0015 Å |
| c | 14.1884 ± 0.0016 Å |
| α | 91.894 ± 0.002° |
| β | 90.553 ± 0.002° |
| γ | 97.128 ± 0.002° |
| Cell volume | 1466 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0571 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2227286.cif |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227286.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227286.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227286.cif |
| 4323 | 2010-12-17 | ../uploads/cif-deposit/cod/cif Adding structures of 2227286 via cif-deposit CGI script. |
2227286.cif |
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Users of the data should acknowledge the original authors of the
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