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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 S2N2 (Disulfur dinitride)
1AG D2H
1910171554
InChI=1S/N2S2/c1-3-2-4-1 INChIKey=HGFWWXXKPBDJAH-UHFFFAOYNA-N
SVWN/6-311G**
Point group is D2h
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
S1 |
0.0000 |
0.0000 |
1.1657 |
|
1.1657 |
0.0000 |
0.0000 |
S2 |
0.0000 |
0.0000 |
-1.1657 |
|
-1.1657 |
0.0000 |
0.0000 |
N3 |
0.0000 |
1.1748 |
0.0000 |
|
0.0000 |
1.1748 |
0.0000 |
N4 |
0.0000 |
-1.1748 |
0.0000 |
|
0.0000 |
-1.1748 |
0.0000 |
Atom - Atom Distances (Å)
|
S1 |
S2 |
N3 |
N4 |
S1 |
| 2.3313 |
1.6550 |
1.6550 |
S2 |
2.3313 |
| 1.6550 |
1.6550 |
N3 |
1.6550 |
1.6550 |
| 2.3497 |
N4 |
1.6550 |
1.6550 |
2.3497 |
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Maximum atom distance is 2.3497Å
between atoms N3 and N4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
S1 |
N3 |
S2 |
89.551 |
|
S1 |
N4 |
S2 |
89.551 |
N3 |
S1 |
N4 |
90.449 |
|
N3 |
S2 |
N4 |
90.449 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.