Information card for entry 7214075
Formula |
C14 H9 F3 N2 S |
Calculated formula |
C14 H9 F3 N2 S |
SMILES |
C(F)(F)(F)c1cc2NC(=NSc2cc1)c1ccccc1 |
Title of publication |
Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines |
Authors of publication |
Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M. |
Journal of publication |
CrystEngComm |
Year of publication |
2014 |
Journal volume |
16 |
Journal issue |
9 |
Pages of publication |
1755 |
a |
14.857 ± 0.002 Å |
b |
13.0971 ± 0.0019 Å |
c |
26.97 ± 0.004 Å |
α |
90° |
β |
90.959 ± 0.004° |
γ |
90° |
Cell volume |
5247.2 ± 1.3 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
5 |
Space group number |
9 |
Hermann-Mauguin space group symbol |
C 1 c 1 |
Hall space group symbol |
C -2yc |
Residual factor for all reflections |
0.1131 |
Residual factor for significantly intense reflections |
0.1056 |
Weighted residual factors for significantly intense reflections |
0.3009 |
Weighted residual factors for all reflections included in the refinement |
0.3112 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.098 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7214075.html