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Information card for entry 7220006
Preview
| Coordinates | 7220006.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (E)-2-methoxy-6-{[(3-nitrophenyl)imino]methyl}phenol |
|---|---|
| Formula | C14 H12 N2 O4 |
| Calculated formula | C14 H12 N2 O4 |
| SMILES | c1c(cc(cc1)/N=C/c1cccc(c1O)OC)N(=O)=O |
| Title of publication | Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour |
| Authors of publication | Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 18 |
| Pages of publication | 3509 |
| a | 12.8418 ± 0.0003 Å |
| b | 7.5487 ± 0.0002 Å |
| c | 26.461 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2565.1 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7220006.cif |
| 180531 | 2016-03-26 | cif/7/22/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/22/00. |
7220006.cif |
| 138503 | 2015-06-07 | cif/ Updating files of 7220006, 7220007, 7220008 Original log message: Adding full bibliography for 7220006--7220008.cif. |
7220006.cif |
| 134466 | 2015-03-28 | cif/ Adding structures of 7220006, 7220007, 7220008 via cif-deposit CGI script. |
7220006.cif |
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Users of the data should acknowledge the original authors of the
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