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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 ClONO (chlorine nitrite)
1A' CS cis
1910171554
InChI=1S/ClNO2/c1-4-2-3 INChIKey=NXRVFVBNLWGOCL-UHFFFAOYSA-N
HF/CEP-121G
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| Cl1 |
-1.2783 |
-0.3310 |
0.0000 |
|
1.2914 |
0.2752 |
0.0000 |
| O2 |
0.0000 |
0.9113 |
0.0000 |
|
-0.0395 |
-0.9105 |
0.0000 |
| N3 |
1.3373 |
0.5123 |
0.0000 |
|
-1.3583 |
-0.4538 |
0.0000 |
| O4 |
1.5462 |
-0.6562 |
0.0000 |
|
-1.5162 |
0.7227 |
0.0000 |
Atom - Atom Distances (Å)
| |
Cl1 |
O2 |
N3 |
O4 |
| Cl1 |
| 1.7825 |
2.7482 |
2.8431 |
| O2 |
1.7825 |
|
1.3956 |
2.2018 |
| N3 |
2.7482 |
1.3956 |
|
1.1870 |
| O4 |
2.8431 |
2.2018 |
1.1870 |
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Maximum atom distance is 2.8431Å
between atoms Cl1 and O4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
Cl1 |
O2 |
N3 |
119.204 |
|
O2 |
N3 |
O4 |
116.745 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.