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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=
CCD/6-311G**
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| S1 |
0.0000 |
0.3614 |
0.0000 |
|
-0.0389 |
-0.3593 |
0.0000 |
| N2 |
1.3655 |
-0.2929 |
0.0000 |
|
-1.3260 |
0.4382 |
0.0000 |
| O3 |
-1.1948 |
-0.4666 |
0.0000 |
|
1.2381 |
0.3352 |
0.0000 |
Atom - Atom Distances (Å)
| |
S1 |
N2 |
O3 |
| S1 |
| 1.5142 |
1.4537 |
| N2 |
1.5142 |
| 2.5663 |
| O3 |
1.4537 |
2.5663 |
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Maximum atom distance is 2.5663Å
between atoms N2 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
N2 |
S1 |
O3 |
119.677 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.