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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

CCD/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 1.1170   1.1170 0.0000 0.0000
N2 0.0000 1.1195 0.3556   0.3556 0.0000 1.1195
N3 0.0000 -1.1195 0.3556   0.3556 0.0000 -1.1195
C4 0.0000 0.7101 -0.8772   -0.8772 0.0000 0.7101
C5 0.0000 -0.7101 -0.8772   -0.8772 0.0000 -0.7101
H6 0.0000 1.4071 -1.6944   -1.6944 0.0000 1.4071
H7 0.0000 -1.4071 -1.6944   -1.6944 0.0000 -1.4071
Atom - Atom Distances (Å)
  O1 N2 N3 C4 C5 H6 H7
O1 1.3538 1.3538 2.1168 2.1168 3.1438 3.1438
N2 1.3538 2.2389 1.2990 2.2061 2.0701 3.2536
N3 1.3538 2.2389 2.2061 1.2990 3.2536 2.0701
C4 2.1168 1.2990 2.2061 1.4202 1.0741 2.2695
C5 2.1168 2.2061 1.2990 1.4202 2.2695 1.0741
H6 3.1438 2.0701 3.2536 1.0741 2.2695 2.8143
H7 3.1438 3.2536 2.0701 2.2695 1.0741 2.8143
Maximum atom distance is 3.2536Å 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 105.851 O1 N3 C5 105.851
N2 O1 N3 111.559 N2 C4 C5 108.370
N3 C5 C4 108.370
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C4 H6 121.167 N3 C5 H7 121.167
C4 C5 H7 130.463 C5 C4 H6 130.463

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