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Information card for entry 2225973
Preview
| Coordinates | 2225973.cif |
|---|---|
| Structure factors | 2225973.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | 1-[(<i>E</i>)-(2-Phenoxyanilino)methylene]naphthalen-2(1<i>H</i>)-one |
|---|---|
| Formula | C23 H17 N O2 |
| Calculated formula | C23 H17 N O2 |
| SMILES | c1(ccccc1)Oc1c(cccc1)N/C=C1\C(=O)C=Cc2ccccc12 |
| Title of publication | 1-[(<i>E</i>)-(2-Phenoxyanilino)methylene]naphthalen-2(1<i>H</i>)-one |
| Authors of publication | Temel, Ersin; Ağar, Erbil; Büyükgüngör, Orhan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 5 |
| Pages of publication | o1131 |
| a | 14.6428 ± 0.0011 Å |
| b | 5.6297 ± 0.0003 Å |
| c | 42.602 ± 0.003 Å |
| α | 90° |
| β | 101.175 ± 0.006° |
| γ | 90° |
| Cell volume | 3445.3 ± 0.4 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1507 |
| Residual factor for significantly intense reflections | 0.1149 |
| Weighted residual factors for significantly intense reflections | 0.3082 |
| Weighted residual factors for all reflections included in the refinement | 0.3309 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2225973.cif 2225973.hkl |
| 201978 | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2225973.cif 2225973.hkl |
| 181180 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/59. |
2225973.cif 2225973.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2225973.cif 2225973.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225973.cif 2225973.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. | 2225973.cif 2225973.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225973.cif 2225973.hkl |
| 1208 | 2010-06-08 | hkl/2/ Adding Fobs data for the most recent Acta Cryst. deposition. |
2225973.cif 2225973.hkl |
| 1197 | 2010-06-06 | cif/2/ Adding data from the Acta-Cryst-E-2010_05 processing directory. |
2225973.cif |
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Users of the data should acknowledge the original authors of the
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