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Information card for entry 2236292
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| Coordinates | 2236292.cif |
|---|---|
| Structure factors | 2236292.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | (2<i>E</i>)-1-[2,3-Dichloro-6-methyl-5-(trifluoromethyl)phenyl]-2- (1-phenylethylidene)hydrazine |
|---|---|
| Formula | C16 H13 Cl2 F3 N2 |
| Calculated formula | C16 H13 Cl2 F3 N2 |
| SMILES | Clc1c(N/N=C(/c2ccccc2)C)c(c(cc1Cl)C(F)(F)F)C |
| Title of publication | (2<i>E</i>)-1-[2,3-Dichloro-6-methyl-5-(trifluoromethyl)phenyl]-2-(1-phenylethylidene)hydrazine |
| Authors of publication | Fun, Hoong-Kun; Loh, Wan-Sin; Bhat, Manjunath; Arulmoli, T.; Nagaraja, G. K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | o3189 |
| a | 11.26 ± 0.0016 Å |
| b | 11.4025 ± 0.0017 Å |
| c | 14.8398 ± 0.0016 Å |
| α | 90° |
| β | 123.773 ± 0.007° |
| γ | 90° |
| Cell volume | 1583.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0867 |
| Weighted residual factors for all reflections included in the refinement | 0.0903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| 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. |
2236292.cif 2236292.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. |
2236292.cif 2236292.hkl |
| 181284 | 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 2/23/62. |
2236292.cif 2236292.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. |
2236292.cif 2236292.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236292.cif 2236292.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. | 2236292.cif 2236292.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236292.cif 2236292.hkl |
| 69861 | 2012-12-21 | cif/ Adding structures of 2236292 via cif-deposit CGI script. |
2236292.cif |
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Users of the data should acknowledge the original authors of the
structural data.