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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

HF/3-21G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.6215 0.0000   0.6077 -0.1306 0.0000
N2 0.0000 -0.6215 0.0000   -0.6077 0.1306 0.0000
O3 -1.1540 1.3137 0.0000   1.0418 -1.4043 0.0000
O4 1.1540 -1.3137 0.0000   -1.0418 1.4043 0.0000
C5 1.3122 1.2910 0.0000   1.5380 1.0115 0.0000
C6 -1.3122 -1.2910 0.0000   -1.5380 -1.0115 0.0000
H7 1.0963 2.3418 0.0000   2.5200 0.5796 0.0000
H8 1.8562 0.9796 0.8774   1.3479 1.6088 0.8774
H9 1.8562 0.9796 -0.8774   1.3479 1.6088 -0.8774
H10 -1.0963 -2.3418 0.0000   -2.5200 -0.5796 0.0000
H11 -1.8562 -0.9796 0.8774   -1.3479 -1.6088 0.8774
H12 -1.8562 -0.9796 -0.8774   -1.3479 -1.6088 -0.8774
Atom - Atom Distances (Å)
  N1 N2 O3 O4 C5 C6 H7 H8 H9 H10 H11 H12
N1 1.2431 1.3456 2.2532 1.4732 2.3195 2.0399 2.0842 2.0842 3.1597 2.6037 2.6037
N2 1.2431 2.2532 1.3456 2.3195 1.4732 3.1597 2.6037 2.6037 2.0399 2.0842 2.0842
O3 1.3456 2.2532 3.4971 2.4663 2.6095 2.4741 3.1532 3.1532 3.6560 2.5539 2.5539
O4 2.2532 1.3456 3.4971 2.6095 2.4663 3.6560 2.5539 2.5539 2.4741 3.1532 3.1532
C5 1.4732 2.3195 2.4663 2.6095 3.6817 1.0727 1.0783 1.0783 4.3588 3.9956 3.9956
C6 2.3195 1.4732 2.6095 2.4663 3.6817 4.3588 3.9956 3.9956 1.0727 1.0783 1.0783
H7 2.0399 3.1597 2.4741 3.6560 1.0727 4.3588 1.7897 1.7897 5.1715 4.5299 4.5299
H8 2.0842 2.6037 3.1532 2.5539 1.0783 3.9956 1.7897 1.7549 4.5299 4.1978 4.5498
H9 2.0842 2.6037 3.1532 2.5539 1.0783 3.9956 1.7897 1.7549 4.5299 4.5498 4.1978
H10 3.1597 2.0399 3.6560 2.4741 4.3588 1.0727 5.1715 4.5299 4.5299 1.7897 1.7897
H11 2.6037 2.0842 2.5539 3.1532 3.9956 1.0783 4.5299 4.1978 4.5498 1.7897 1.7549
H12 2.6037 2.0842 2.5539 3.1532 3.9956 1.0783 4.5299 4.5498 4.1978 1.7897 1.7549
Maximum atom distance is 5.1715Å 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 120.955 N1 N2 C6 117.031
N2 N1 O3 120.955 N2 N1 C5 117.031
O3 N1 C5 122.015 O4 N2 C6 122.015
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C5 H7 105.420 N1 C5 H8 108.550
N1 C5 H9 108.550 N2 C6 H10 105.420
N2 C6 H11 108.550 N2 C6 H12 108.550
H7 C5 H8 112.607 H7 C5 H9 112.607
H8 C5 H9 108.917 H10 C6 H11 112.607
H10 C6 H12 112.607 H11 C6 H12 108.917

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