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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 NSO (sulfinyl amidogen)
2A' CS
1910171554
InChI=1S/NOS/c1-3-2 INChIKey=
CID/3-21G
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
S1 |
0.0000 |
0.4250 |
0.0000 |
|
-0.0237 |
-0.4244 |
0.0000 |
N2 |
1.4554 |
-0.3711 |
0.0000 |
|
-1.4324 |
0.4516 |
0.0000 |
O3 |
-1.2734 |
-0.5253 |
0.0000 |
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1.3007 |
0.4536 |
0.0000 |
Atom - Atom Distances (Å)
|
S1 |
N2 |
O3 |
S1 |
| 1.6589 |
1.5890 |
N2 |
1.6589 |
| 2.7331 |
O3 |
1.5890 |
2.7331 |
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Maximum atom distance is 2.7331Å
between atoms N2 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
N2 |
S1 |
O3 |
114.586 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.