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Information card for entry 2237218
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| Coordinates | 2237218.cif |
|---|---|
| Structure factors | 2237218.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | 2,2'-({4-[(4-Nitrophenyl)diazenyl]phenyl}imino)diethanol |
|---|---|
| Formula | C16 H18 N4 O4 |
| Calculated formula | C16 H18 N4 O4 |
| SMILES | OCCN(c1ccc(N=Nc2ccc(N(=O)=O)cc2)cc1)CCO |
| Title of publication | 2,2'-({4-[(4-Nitrophenyl)diazenyl]phenyl}imino)diethanol |
| Authors of publication | Duangthongyou, Tanwawan; Suwanruji, Potjanart; Suesat, Jantip; Achiwawanich, Supakit |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | o22 |
| a | 19 ± 0.003 Å |
| b | 7.3502 ± 0.0016 Å |
| c | 11.0825 ± 0.0016 Å |
| α | 90° |
| β | 92.06 ± 0.008° |
| γ | 90° |
| Cell volume | 1546.7 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0845 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1159 |
| Weighted residual factors for all reflections included in the refinement | 0.1523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.926 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2237218.cif 2237218.hkl |
| 201979 | 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. |
2237218.cif 2237218.hkl |
| 181294 | 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 2/23/72. |
2237218.cif 2237218.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. |
2237218.cif 2237218.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237218.cif 2237218.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237218.cif 2237218.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237218.cif 2237218.hkl |
| 73442 | 2013-02-20 | cif/ Adding structures of 2237218 via cif-deposit CGI script. |
2237218.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.