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Information card for entry 1543348
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| Coordinates | 1543348.cif |
|---|---|
| Structure factors | 1543348.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Amino-3-((<i>E</i>)-{[3-(trifluoromethyl)phenyl]imino}methyl)-4<i>H</i>-chromen-4-one |
|---|---|
| Formula | C17 H11 F3 N2 O2 |
| Calculated formula | C17 H11 F3 N2 O2 |
| SMILES | FC(F)(F)c1cccc(/N=C/c2c(oc3ccccc3c2=O)N)c1 |
| Title of publication | 2-Amino-3-((<i>E</i>)-{[3-(trifluoromethyl)phenyl]imino}methyl)-4<i>H</i>-chromen-4-one |
| Authors of publication | Atalay, Şehriman; Gerçeker, Semra; Meral, Seher; Alaman Ağar, Ayşen |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | x160797 |
| a | 7.1355 ± 0.0007 Å |
| b | 7.4786 ± 0.0008 Å |
| c | 14.8254 ± 0.0018 Å |
| α | 99.626 ± 0.009° |
| β | 91.602 ± 0.009° |
| γ | 105.02 ± 0.008° |
| Cell volume | 751.23 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0938 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1241 |
| Weighted residual factors for all reflections included in the refinement | 0.1405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183064 (current) | 2016-05-21 | cif/ hkl/ Adding structures of 1543348 via cif-deposit CGI script. |
1543348.cif 1543348.hkl |
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Users of the data should acknowledge the original authors of the
structural data.