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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=
PBEPBE/6-31G*
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| S1 |
0.0000 |
0.3113 |
0.0000 |
|
0.0434 |
0.3083 |
0.0000 |
| N2 |
1.4571 |
-0.1499 |
0.0000 |
|
1.4219 |
-0.3517 |
0.0000 |
| O3 |
-1.2749 |
-0.4914 |
0.0000 |
|
-1.3310 |
-0.3088 |
0.0000 |
Atom - Atom Distances (Å)
| |
S1 |
N2 |
O3 |
| S1 |
| 1.5283 |
1.5066 |
| N2 |
1.5283 |
| 2.7533 |
| O3 |
1.5066 |
2.7533 |
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Maximum atom distance is 2.7533Å
between atoms N2 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
N2 |
S1 |
O3 |
130.239 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.