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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
TPSSh/STO-3G
Point group is D2h
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| S1 |
0.0000 |
0.0000 |
1.2817 |
|
1.2817 |
0.0000 |
0.0000 |
| S2 |
0.0000 |
0.0000 |
-1.2817 |
|
-1.2817 |
0.0000 |
0.0000 |
| N3 |
0.0000 |
1.2319 |
0.0000 |
|
0.0000 |
1.2319 |
0.0000 |
| N4 |
0.0000 |
-1.2319 |
0.0000 |
|
0.0000 |
-1.2319 |
0.0000 |
Atom - Atom Distances (Å)
| |
S1 |
S2 |
N3 |
N4 |
| S1 |
| 2.5633 |
1.7777 |
1.7777 |
| S2 |
2.5633 |
| 1.7777 |
1.7777 |
| N3 |
1.7777 |
1.7777 |
| 2.4637 |
| N4 |
1.7777 |
1.7777 |
2.4637 |
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Maximum atom distance is 2.5633Å
between atoms S1 and S2.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
S1 |
N3 |
S2 |
92.271 |
|
S1 |
N4 |
S2 |
92.271 |
|
N3 |
S1 |
N4 |
87.729 |
|
N3 |
S2 |
N4 |
87.729 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.