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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for FSN (Thiazyl fluoride)
1A' CS
1910171554
InChI=1S/FNS/c1-3-2 INChIKey=IMFUYZDKLVTPSW-UHFFFAOYSA-N
mPW1PW91/Def2TZVPP
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| S1 |
0.0000 |
0.4285 |
0.0000 |
|
-0.1878 |
-0.3851 |
0.0000 |
| N2 |
1.3875 |
0.0630 |
0.0000 |
|
-1.2748 |
0.5515 |
0.0000 |
| F3 |
-1.0792 |
-0.8107 |
0.0000 |
|
1.3253 |
0.2557 |
0.0000 |
Atom - Atom Distances (Å)
| |
S1 |
N2 |
F3 |
| S1 |
| 1.4348 |
1.6432 |
| N2 |
1.4348 |
| 2.6169 |
| F3 |
1.6432 |
2.6169 |
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Maximum atom distance is 2.6169Å
between atoms N2 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
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N2 |
S1 |
F3 |
116.297 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.