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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

PBEPBE/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 1.1324   0.0000 1.1324 0.0000
N2 0.0000 1.1397 0.3561   1.1397 0.3561 0.0000
N3 0.0000 -1.1397 0.3561   -1.1397 0.3561 0.0000
C4 0.0000 0.7097 -0.8846   0.7097 -0.8846 0.0000
C5 0.0000 -0.7097 -0.8846   -0.7097 -0.8846 0.0000
H6 0.0000 1.4089 -1.7144   1.4089 -1.7144 0.0000
H7 0.0000 -1.4089 -1.7144   -1.4089 -1.7144 0.0000
Atom - Atom Distances (Å)
  O1 N2 N3 C4 C5 H6 H7
O1 1.3789 1.3789 2.1382 2.1382 3.1763 3.1763
N2 1.3789 2.2794 1.3131 2.2270 2.0879 3.2836
N3 1.3789 2.2794 2.2270 1.3131 3.2836 2.0879
C4 2.1382 1.3131 2.2270 1.4194 1.0851 2.2753
C5 2.1382 2.2270 1.3131 1.4194 2.2753 1.0851
H6 3.1763 2.0879 3.2836 1.0851 2.2753 2.8178
H7 3.1763 3.2836 2.0879 2.2753 1.0851 2.8178
Maximum atom distance is 3.2836Å 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 105.144 O1 N3 C5 105.144
N2 O1 N3 111.481 N2 C4 C5 109.115
N3 C5 C4 109.115
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C4 H6 120.767 N3 C5 H7 120.767
C4 C5 H7 130.117 C5 C4 H6 130.117

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