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Information card for entry 2235953
Preview
| Coordinates | 2235953.cif |
|---|---|
| Structure factors | 2235953.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | 2-(1,3-Dioxoisoindolin-2-yl)acetic acid–<i>N</i>'-[(<i>E</i>)-2-methoxybenzylidene]pyridine-4-carbohydrazide (1/1) |
|---|---|
| Formula | C24 H20 N4 O6 |
| Calculated formula | C24 H20 N4 O6 |
| SMILES | O(c1c(cccc1)/C=N/NC(=O)c1ccncc1)C.O=C1N(C(=O)c2c1cccc2)CC(=O)O |
| Title of publication | 2-(1,3-Dioxoisoindolin-2-yl)acetic acid–<i>N</i>'-[(<i>E</i>)-2-methoxybenzylidene]pyridine-4-carbohydrazide (1/1) |
| Authors of publication | Mohamed, Shaaban K.; Farrukh, Muhammad Akhyar; Akkurt, Mehmet; Albayati, Mustafa R.; Abdelhamid, Antar A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | o2442 |
| a | 7.0747 ± 0.001 Å |
| b | 43.511 ± 0.006 Å |
| c | 7.5477 ± 0.0009 Å |
| α | 90° |
| β | 110.015 ± 0.005° |
| γ | 90° |
| Cell volume | 2183.1 ± 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.119 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1352 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| 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. |
2235953.cif 2235953.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. |
2235953.cif 2235953.hkl |
| 181281 | 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 2/23/59. |
2235953.cif 2235953.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. |
2235953.cif 2235953.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235953.cif 2235953.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. | 2235953.cif 2235953.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235953.cif 2235953.hkl |
| 66036 | 2012-09-06 | cif/ Adding structures of 2235953 via cif-deposit CGI script. |
2235953.cif |
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Users of the data should acknowledge the original authors of the
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