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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

MP4=FULL/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 1.2124   0.0000 1.2124 0.0000
N2 0.0000 1.2201 0.3384   1.2201 0.3384 0.0000
N3 0.0000 -1.2201 0.3384   -1.2201 0.3384 0.0000
C4 0.0000 0.7186 -0.9087   0.7186 -0.9087 0.0000
C5 0.0000 -0.7186 -0.9087   -0.7186 -0.9087 0.0000
H6 0.0000 1.3792 -1.7659   1.3792 -1.7659 0.0000
H7 0.0000 -1.3792 -1.7659   -1.3792 -1.7659 0.0000
Atom - Atom Distances (Å)
  O1 N2 N3 C4 C5 H6 H7
O1 1.5009 1.5009 2.2395 2.2395 3.2821 3.2821
N2 1.5009 2.4403 1.3442 2.3052 2.1103 3.3443
N3 1.5009 2.4403 2.3052 1.3442 3.3443 2.1103
C4 2.2395 1.3442 2.3052 1.4372 1.0822 2.2662
C5 2.2395 2.3052 1.3442 1.4372 2.2662 1.0822
H6 3.2821 2.1103 3.3443 1.0822 2.2662 2.7584
H7 3.2821 3.3443 2.1103 2.2662 1.0822 2.7584
Maximum atom distance is 3.3443Å 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 103.707 O1 N3 C5 103.707
N2 O1 N3 108.770 N2 C4 C5 111.908
N3 C5 C4 111.908
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C4 H6 120.474 N3 C5 H7 120.474
C4 C5 H7 127.619 C5 C4 H6 127.619

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