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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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You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry
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Geometry for N2O3 (Dinitrogen trioxide)
1A' CS
1910171554
InChI=1S/N2O3/c3-1-2(4)5 INChIKey=LZDSILRDTDCIQT-UHFFFAOYSA-N
BLYP/cc-pVDZ
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| N1 |
-0.7526 |
-1.1558 |
0.0000 |
|
-1.1679 |
-0.7338 |
0.0000 |
| N2 |
0.0000 |
0.6795 |
0.0000 |
|
0.6794 |
-0.0110 |
0.0000 |
| O3 |
0.1872 |
-1.8313 |
0.0000 |
|
-1.8280 |
0.2168 |
0.0000 |
| O4 |
1.2224 |
0.6051 |
0.0000 |
|
0.6249 |
1.2124 |
0.0000 |
| O5 |
-0.7510 |
1.6429 |
0.0000 |
|
1.6305 |
-0.7776 |
0.0000 |
Atom - Atom Distances (Å)
| |
N1 |
N2 |
O3 |
O4 |
O5 |
| N1 |
| 1.9836 |
1.1573 |
2.6460 |
2.7987 |
| N2 |
1.9836 |
| 2.5177 |
1.2246 |
1.2216 |
| O3 |
1.1573 |
2.5177 |
| 2.6472 |
3.5986 |
| O4 |
2.6460 |
1.2246 |
2.6472 |
| 2.2296 |
| O5 |
2.7987 |
1.2216 |
3.5986 |
2.2296 |
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Maximum atom distance is 3.5986Å
between atoms O3 and O5.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
N1 |
N2 |
O4 |
108.818 |
|
N1 |
N2 |
O5 |
119.766 |
|
N2 |
N1 |
O3 |
103.408 |
|
O4 |
N2 |
O5 |
131.417 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.