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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 ONONO (Nitrosyl nitrite)
1A1 C2V
1910171554
InChI=1S/N2O3/c3-1-5-2-4 INChIKey=SEOYNUHKXVGWFU-UHFFFAOYSA-N
MP2/6-31+G**
Point group is C2v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
O1 |
0.0000 |
0.0000 |
0.4868 |
|
0.0000 |
0.4868 |
0.0000 |
N2 |
0.0000 |
1.1854 |
-0.4602 |
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1.1854 |
-0.4602 |
0.0000 |
N3 |
0.0000 |
-1.1854 |
-0.4602 |
|
-1.1854 |
-0.4602 |
0.0000 |
O4 |
0.0000 |
2.1908 |
0.1593 |
|
2.1908 |
0.1593 |
0.0000 |
O5 |
0.0000 |
-2.1908 |
0.1593 |
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-2.1908 |
0.1593 |
0.0000 |
Atom - Atom Distances (Å)
|
O1 |
N2 |
N3 |
O4 |
O5 |
O1 |
|
1.5172 |
1.5172 |
2.2152 |
2.2152 |
N2 |
1.5172 |
| 2.3708 |
1.1809 |
3.4325 |
N3 |
1.5172 |
2.3708 |
| 3.4325 |
1.1809 |
O4 |
2.2152 |
1.1809 |
3.4325 |
| 4.3816 |
O5 |
2.2152 |
3.4325 |
1.1809 |
4.3816 |
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Maximum atom distance is 4.3816Å
between atoms O4 and O5.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
O1 |
N2 |
O4 |
109.739 |
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O1 |
N3 |
O5 |
109.739 |
N2 |
O1 |
N3 |
102.756 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.