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Information card for entry 2231762
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| Coordinates | 2231762.cif |
|---|---|
| Structure factors | 2231762.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Common name | trans-N-(4-azobenzene)maleimide |
|---|---|
| Chemical name | 1-[(<i>E</i>)-4-(Phenyldiazenyl)phenyl]-3-pyrroline-2,5-dione |
| Formula | C16 H11 N3 O2 |
| Calculated formula | C16 H11 N3 O2 |
| SMILES | N(=N/c1ccccc1)\c1ccc(N2C(=O)C=CC2=O)cc1 |
| Title of publication | 1-[(<i>E</i>)-4-(Phenyldiazenyl)phenyl]-3-pyrroline-2,5-dione |
| Authors of publication | Rusu, Elena; Shova, Sergiu; Rusu, Gheorghe |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | o2333 |
| a | 3.8571 ± 0.0002 Å |
| b | 10.9189 ± 0.0007 Å |
| c | 15.784 ± 0.001 Å |
| α | 78.297 ± 0.005° |
| β | 87.301 ± 0.005° |
| γ | 88.809 ± 0.005° |
| Cell volume | 650.16 ± 0.07 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
2231762.cif 2231762.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. |
2231762.cif 2231762.hkl |
| 181239 | 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 2/23/17. |
2231762.cif 2231762.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. |
2231762.cif 2231762.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231762.cif 2231762.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. | 2231762.cif 2231762.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231762.cif 2231762.hkl |
| 27901 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231762 via cif-deposit CGI script. |
2231762.cif |
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Users of the data should acknowledge the original authors of the
structural data.