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Information card for entry 2237462
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| Coordinates | 2237462.cif |
|---|---|
| Structure factors | 2237462.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 2,4-Dinitrophenylhydrazine |
|---|---|
| Formula | C6 H6 N4 O4 |
| Calculated formula | C6 H6 N4 O4 |
| SMILES | c1(c(cc(cc1)N(=O)=O)N(=O)=O)NN |
| Title of publication | A polymorph of 2,4-dinitrophenylhydrazine |
| Authors of publication | Amimoto, Kiichi; Nishiguchi, Hiromitsu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | o425 |
| a | 12.697 ± 0.005 Å |
| b | 9.179 ± 0.005 Å |
| c | 7.662 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 123.315 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 746.2 ± 0.7 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0271 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for all reflections included in the refinement | 0.0722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2237462.cif 2237462.hkl |
| 181296 | 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 2/23/74. |
2237462.cif 2237462.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. |
2237462.cif 2237462.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237462.cif 2237462.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237462.cif 2237462.hkl |
| 78743 | 2013-04-02 | cif/ Adding structures of 2237462 via cif-deposit CGI script. |
2237462.cif |
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Users of the data should acknowledge the original authors of the
structural data.