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Information card for entry 2233723
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| Coordinates | 2233723.cif |
|---|---|
| Structure factors | 2233723.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | (<i>E</i>)-2-{[(2-(Trifluoromethyl)phenyl]iminomethyl}phenol |
|---|---|
| Formula | C14 H10 F3 N O |
| Calculated formula | C14 H10 F3 N O |
| SMILES | c1(c(cccc1)O)/C=N/c1ccccc1C(F)(F)F |
| Title of publication | (<i>E</i>)-2-{[(2-(Trifluoromethyl)phenyl]iminomethyl}phenol |
| Authors of publication | Odabaşoğlu, Hakkı Yasin; Büyükgüngör, Orhan; Avinç, Osman Ozan; Odabaşoğlu, Mustafa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | o578 |
| a | 17.9907 ± 0.0018 Å |
| b | 5.0898 ± 0.0004 Å |
| c | 13.2564 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1213.88 ± 0.18 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0784 |
| Weighted residual factors for all reflections included in the refinement | 0.0837 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| 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. |
2233723.cif 2233723.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. |
2233723.cif 2233723.hkl |
| 181259 | 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 2/23/37. |
2233723.cif 2233723.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. |
2233723.cif 2233723.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233723.cif 2233723.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. | 2233723.cif 2233723.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233723.cif 2233723.hkl |
| 50967 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233723 via cif-deposit CGI script. |
2233723.cif |
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Users of the data should acknowledge the original authors of the
structural data.