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Information card for entry 7151392
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| Coordinates | 7151392.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | N-3,5-dichlorosalicylideneaniline |
|---|---|
| Formula | C13 H9 Cl2 N O |
| Calculated formula | C13 H9 Cl2 N O |
| SMILES | c1(c(c(cc(c1)Cl)Cl)O)/C=N/c1ccccc1 |
| Title of publication | Crystalline photochromism of N-salicylidene-2,6-dialkylanilines: advantage of 2,6-dialkyl substituents of aniline for preparation of photochromic Schiff base crystals |
| Authors of publication | Fukuda, Hisatane; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2003 |
| Journal volume | 1 |
| Journal issue | 9 |
| Pages of publication | 1578 |
| a | 4.5249 ± 0.0002 Å |
| b | 19.144 ± 0.0009 Å |
| c | 13.5302 ± 0.0004 Å |
| α | 90° |
| β | 94.715 ± 0.001° |
| γ | 90° |
| Cell volume | 1168.08 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1217 |
| Residual factor for significantly intense reflections | 0.1115 |
| Weighted residual factors for significantly intense reflections | 0.3221 |
| Weighted residual factors for all reflections included in the refinement | 0.3322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7151392.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7151392.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151392.cif |
| 180299 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/13. |
7151392.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151392.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151392.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7151392.cif |
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Users of the data should acknowledge the original authors of the
structural data.