Information card for entry 7209279
| Formula |
C16 H16 F N3 O3 S2 |
| Calculated formula |
C16 H16 F N3 O3 S2 |
| SMILES |
s1c(nnc1Nc1ccc(F)cc1)c1ccc(O)cc1O.S(=O)(C)C |
| Title of publication |
On polymorphism of 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole (FABT) DMSO solvates |
| Authors of publication |
Hoser, Anna A.; Kamiński, Daniel M.; Matwijczuk, Arkadiusz; Niewiadomy, Andrzej; Gagoś, Mariusz; Woźniak, Krzysztof |
| Journal of publication |
CrystEngComm |
| Year of publication |
2013 |
| Journal volume |
15 |
| Journal issue |
10 |
| Pages of publication |
1978 |
| a |
6.4038 ± 0.0004 Å |
| b |
10.2494 ± 0.0006 Å |
| c |
13.1644 ± 0.0009 Å |
| α |
77.41 ± 0.005° |
| β |
86.768 ± 0.005° |
| γ |
82.386 ± 0.005° |
| Cell volume |
835.5 ± 0.09 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 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 |
0.0634 |
| Residual factor for significantly intense reflections |
0.0366 |
| Weighted residual factors for significantly intense reflections |
0.0763 |
| Weighted residual factors for all reflections included in the refinement |
0.0813 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.931 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7209279.html
