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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

mPW1PW91/aug-cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0597 0.6447 0.0000   0.6462 0.0396 0.0000
N2 0.0597 -0.6447 0.0000   -0.6462 -0.0396 0.0000
O3 -1.1886 1.2036 0.0000   1.3712 -0.9905 0.0000
O4 1.1886 -1.2036 0.0000   -1.3712 0.9905 0.0000
C5 1.1886 1.4023 0.0000   1.2040 1.3890 0.0000
C6 -1.1886 -1.4023 0.0000   -1.2040 -1.3890 0.0000
H7 0.8948 2.4510 0.0000   2.2854 1.2591 0.0000
H8 1.7728 1.1351 0.8869   0.8506 1.9255 0.8869
H9 1.7728 1.1351 -0.8869   0.8506 1.9255 -0.8869
H10 -0.8948 -2.4510 0.0000   -2.2854 -1.2591 0.0000
H11 -1.7728 -1.1351 0.8869   -0.8506 -1.9255 0.8869
H12 -1.7728 -1.1351 -0.8869   -0.8506 -1.9255 -0.8869
Atom - Atom Distances (Å)
  N1 N2 O3 O4 C5 C6 H7 H8 H9 H10 H11 H12
N1 1.2949 1.2596 2.2303 1.4602 2.3376 2.0430 2.0940 2.0940 3.2064 2.6246 2.6246
N2 1.2949 2.2303 1.2596 2.3376 1.4602 3.2064 2.6246 2.6246 2.0430 2.0940 2.0940
O3 1.2596 2.2303 3.3831 2.3854 2.6059 2.4282 3.0920 3.0920 3.6664 2.5685 2.5685
O4 2.2303 1.2596 3.3831 2.6059 2.3854 3.6664 2.5685 2.5685 2.4282 3.0920 3.0920
C5 1.4602 2.3376 2.3854 2.6059 3.6764 1.0892 1.0951 1.0951 4.3804 3.9992 3.9992
C6 2.3376 1.4602 2.6059 2.3854 3.6764 4.3804 3.9992 3.9992 1.0892 1.0951 1.0951
H7 2.0430 3.2064 2.4282 3.6664 1.0892 4.3804 1.8136 1.8136 5.2185 4.5566 4.5566
H8 2.0940 2.6246 3.0920 2.5685 1.0951 3.9992 1.8136 1.7738 4.5566 4.2100 4.5684
H9 2.0940 2.6246 3.0920 2.5685 1.0951 3.9992 1.8136 1.7738 4.5566 4.5684 4.2100
H10 3.2064 2.0430 3.6664 2.4282 4.3804 1.0892 5.2185 4.5566 4.5566 1.8136 1.8136
H11 2.6246 2.0940 2.5685 3.0920 3.9992 1.0951 4.5566 4.2100 4.5684 1.8136 1.7738
H12 2.6246 2.0940 2.5685 3.0920 3.9992 1.0951 4.5566 4.5684 4.2100 1.8136 1.7738
Maximum atom distance is 5.2185Å 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 121.631 N1 N2 C6 115.963
N2 N1 O3 121.631 N2 N1 C5 115.963
O3 N1 C5 122.406 O4 N2 C6 122.406
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C5 H7 105.604 N1 C5 H8 109.235
N1 C5 H9 109.235 N2 C6 H10 105.604
N2 C6 H11 109.235 N2 C6 H12 109.235
H7 C5 H8 112.262 H7 C5 H9 112.262
H8 C5 H9 108.167 H10 C6 H11 112.262
H10 C6 H12 112.262 H11 C6 H12 108.167

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