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Geometry for C2H2N2O (Furazan) 1A1 C2V

1910171554
InChI=1S/C2H2N2O/c1-2-4-5-3-1/h1-2H INChIKey=JKFAIQOWCVVSKC-UHFFFAOYSA-N

MP2/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 1.1733   0.0000 1.1733 0.0000
N2 0.0000 1.1903 0.3792   1.1903 0.3792 0.0000
N3 0.0000 -1.1903 0.3792   -1.1903 0.3792 0.0000
C4 0.0000 0.7129 -0.9287   0.7129 -0.9287 0.0000
C5 0.0000 -0.7129 -0.9287   -0.7129 -0.9287 0.0000
H6 0.0000 1.4116 -1.7750   1.4116 -1.7750 0.0000
H7 0.0000 -1.4116 -1.7750   -1.4116 -1.7750 0.0000
Atom - Atom Distances (Å)
  O1 N2 N3 C4 C5 H6 H7
O1 1.4309 1.4309 2.2196 2.2196 3.2688 3.2688
N2 1.4309 2.3806 1.3923 2.3093 2.1655 3.3779
N3 1.4309 2.3806 2.3093 1.3923 3.3779 2.1655
C4 2.2196 1.3923 2.3093 1.4259 1.0974 2.2869
C5 2.2196 2.3093 1.3923 1.4259 2.2869 1.0974
H6 3.2688 2.1655 3.3779 1.0974 2.2869 2.8232
H7 3.2688 3.3779 2.1655 2.2869 1.0974 2.8232
Maximum atom distance is 3.3779Å between atoms N2 and H7.
picture of Furazan
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 N2 C4 103.658 O1 N3 C5 103.658
N2 O1 N3 112.581 N2 C4 C5 110.051
N3 C5 C4 110.051
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C4 H6 120.404 N3 C5 H7 120.404
C4 C5 H7 129.544 C5 C4 H6 129.544

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