Information card for entry 2205048
| Chemical name |
2-[(E)-Benzylideneamino]-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1- benzothiophene-3-carboxamide |
| Formula |
C22 H19 F N2 O S |
| Calculated formula |
C22 H19 F N2 O S |
| SMILES |
O=C(c1c(/N=C/c2ccccc2)sc2c1CCCC2)Nc1ccccc1F |
| Title of publication |
2-[(<i>E</i>)-Benzylideneamino]-<i>N</i>-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Authors of publication |
Vasu; Nirmala, K. A.; Chopra, Deepak; Mohan, S.; Saravanan, J. |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2005 |
| Journal volume |
61 |
| Journal issue |
2 |
| Pages of publication |
o236 - o238 |
| a |
8.447 ± 0.005 Å |
| b |
10.821 ± 0.007 Å |
| c |
11.759 ± 0.007 Å |
| α |
67.224 ± 0.009° |
| β |
70.794 ± 0.009° |
| γ |
77.127 ± 0.009° |
| Cell volume |
930.2 ± 1 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0533 |
| Residual factor for significantly intense reflections |
0.0462 |
| Weighted residual factors for significantly intense reflections |
0.1217 |
| Weighted residual factors for all reflections included in the refinement |
0.1282 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/2205048.html
