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Geometry for C2H6N2O2 ((E)-Azodioxymethane) 1Ag C2H

1910171554
InChI=1S/C2H6N2O2/c1-3(5)4(2)6/h1-2H3/b4-3+ INChIKey=JFRQLMYPEFSEDK-ONEGZZNKSA-N

B3LYP/CEP-121G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.6685 0.0000   0.6453 0.1746 0.0000
N2 0.0000 -0.6685 0.0000   -0.6453 -0.1746 0.0000
O3 -1.1436 1.3535 0.0000   1.6051 -0.7505 0.0000
O4 1.1436 -1.3535 0.0000   -1.6051 0.7505 0.0000
C5 1.3236 1.3507 0.0000   0.9582 1.6304 0.0000
C6 -1.3236 -1.3507 0.0000   -0.9582 -1.6304 0.0000
H7 1.1041 2.4167 0.0000   2.0446 1.6969 0.0000
H8 1.8878 1.0485 0.8876   0.5191 2.0961 0.8876
H9 1.8878 1.0485 -0.8876   0.5191 2.0961 -0.8876
H10 -1.1041 -2.4167 0.0000   -2.0446 -1.6969 0.0000
H11 -1.8878 -1.0485 0.8876   -0.5191 -2.0961 0.8876
H12 -1.8878 -1.0485 -0.8876   -0.5191 -2.0961 -0.8876
Atom - Atom Distances (Å)
  N1 N2 O3 O4 C5 C6 H7 H8 H9 H10 H11 H12
N1 1.3370 1.3330 2.3230 1.4891 2.4144 2.0677 2.1204 2.1204 3.2769 2.7018 2.7018
N2 1.3370 2.3230 1.3330 2.4144 1.4891 3.2769 2.7018 2.7018 2.0677 2.1204 2.1204
O3 1.3330 2.3230 3.5438 2.4672 2.7102 2.4865 3.1734 3.1734 3.7704 2.6667 2.6667
O4 2.3230 1.3330 3.5438 2.7102 2.4672 3.7704 2.6667 2.6667 2.4865 3.1734 3.1734
C5 1.4891 2.4144 2.4672 2.7102 3.7823 1.0884 1.0944 1.0944 4.4819 4.1058 4.1058
C6 2.4144 1.4891 2.7102 2.4672 3.7823 4.4819 4.1058 4.1058 1.0884 1.0944 1.0944
H7 2.0677 3.2769 2.4865 3.7704 1.0884 4.4819 1.8095 1.8095 5.3140 4.6634 4.6634
H8 2.1204 2.7018 3.1734 2.6667 1.0944 4.1058 1.8095 1.7753 4.6634 4.3189 4.6695
H9 2.1204 2.7018 3.1734 2.6667 1.0944 4.1058 1.8095 1.7753 4.6634 4.6695 4.3189
H10 3.2769 2.0677 3.7704 2.4865 4.4819 1.0884 5.3140 4.6634 4.6634 1.8095 1.8095
H11 2.7018 2.1204 2.6667 3.1734 4.1058 1.0944 4.6634 4.3189 4.6695 1.8095 1.7753
H12 2.7018 2.1204 2.6667 3.1734 4.1058 1.0944 4.6634 4.6695 4.3189 1.8095 1.7753
Maximum atom distance is 5.3140Å between atoms H7 and H10.
picture of (E)-Azodioxymethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 N2 O4 120.920 N1 N2 C6 117.267
N2 N1 O3 120.920 N2 N1 C5 117.267
O3 N1 C5 121.813 O4 N2 C6 121.813
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C5 H7 105.632 N1 C5 H8 109.374
N1 C5 H9 109.374 N2 C6 H10 105.632
N2 C6 H11 109.374 N2 C6 H12 109.374
H7 C5 H8 111.994 H7 C5 H9 111.994
H8 C5 H9 108.409 H10 C6 H11 111.994
H10 C6 H12 111.994 H11 C6 H12 108.409

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