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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 N2F2 ((Z)-Difluorodiazene)
1A1 C2V
1910171554
InChI=1S/F2N2/c1-3-4-2/b4-3- INChIKey=DUQAODNTUBJRGF-ARJAWSKDSA-N
LSDA/cc-pVTZ
Point group is C2v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
F1 |
0.0000 |
1.1818 |
-0.5449 |
|
-0.5449 |
0.0000 |
1.1818 |
N2 |
0.0000 |
0.6044 |
0.7006 |
|
0.7006 |
0.0000 |
0.6044 |
N3 |
0.0000 |
-0.6044 |
0.7006 |
|
0.7006 |
0.0000 |
-0.6044 |
F4 |
0.0000 |
-1.1818 |
-0.5449 |
|
-0.5449 |
0.0000 |
-1.1818 |
Atom - Atom Distances (Å)
|
F1 |
N2 |
N3 |
F4 |
F1 |
|
1.3728 |
2.1775 |
2.3636 |
N2 |
1.3728 |
|
1.2087 |
2.1775 |
N3 |
2.1775 |
1.2087 |
|
1.3728 |
F4 |
2.3636 |
2.1775 |
1.3728 |
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Maximum atom distance is 2.3636Å
between atoms F1 and F4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
F1 |
N2 |
N3 |
114.873 |
|
N2 |
N3 |
F4 |
114.873 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.