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Information card for entry 2238373
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| Coordinates | 2238373.cif |
|---|---|
| Structure factors | 2238373.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,2-Diphenyl-<i>N</i>-{[2-(trifluoromethyl)phenyl]carbamothioyl}acetamide |
|---|---|
| Formula | C22 H17 F3 N2 O S |
| Calculated formula | C22 H17 F3 N2 O S |
| SMILES | S=C(Nc1ccccc1C(F)(F)F)NC(=O)C(c1ccccc1)c1ccccc1 |
| Title of publication | 2,2-Diphenyl-<i>N</i>-{[2-(trifluoromethyl)phenyl]carbamothioyl}acetamide |
| Authors of publication | Yusof, Mohd Sukeri Mohd; Razali, Nur Rafikah; Arshad, Suhana; Rahman, Azhar Abdul; Razak, Ibrahim Abdul |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1255 - o1256 |
| a | 20.0318 ± 0.0004 Å |
| b | 10.2866 ± 0.0002 Å |
| c | 9.5351 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1964.79 ± 0.07 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 6 |
| 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 | 0.0597 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.0811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (current) | 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 2/23/83. |
2238373.cif 2238373.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. |
2238373.cif 2238373.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238373.cif 2238373.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238373.cif 2238373.hkl |
| 88216 | 2013-09-04 | cif/ Adding structures of 2238373 via cif-deposit CGI script. |
2238373.cif |
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