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Geometry for N2O4 (Dinitrogen tetroxide) 1Ag D2D

1910171554
InChI=1S/N2O4/c3-1(4)2(5)6 INChIKey=WFPZPJSADLPSON-UHFFFAOYSA-N

MP3/6-31G*


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.8380   0.8380 0.0000 0.0000
N2 0.0000 0.0000 -0.8380   -0.8380 0.0000 0.0000
O3 0.0000 1.0981 1.3012   1.3012 1.0981 0.0000
O4 0.0000 -1.0981 1.3012   1.3012 -1.0981 0.0000
O5 0.0000 1.0981 -1.3012   -1.3012 1.0981 0.0000
O6 0.0000 -1.0981 -1.3012   -1.3012 -1.0981 0.0000
Atom - Atom Distances (Å)
  N1 N2 O3 O4 O5 O6
N1 1.6760 1.1918 1.1918 2.4046 2.4046
N2 1.6760 2.4046 2.4046 1.1918 1.1918
O3 1.1918 2.4046 2.1961 2.6025 3.4053
O4 1.1918 2.4046 2.1961 3.4053 2.6025
O5 2.4046 1.1918 2.6025 3.4053 2.1961
O6 2.4046 1.1918 3.4053 2.6025 2.1961
Maximum atom distance is 3.4053Å between atoms O3 and O6.
picture of Dinitrogen tetroxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 N2 O5 112.874 N1 N2 O6 112.874
N2 N1 O3 112.874 N2 N1 O4 112.874
O3 N1 O4 134.252 O5 N2 O6 134.252

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.