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Geometry for CH3NNCH3 ((E)-1,2-Dimethyldiazene) 1AG C2H

1910171554
InChI=1S/C2H6N2/c1-3-4-2/h1-2H3/b4-3+ INChIKey=JCCAVOLDXDEODY-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 0.3802 0.5169 0.0000   0.5709 0.2929 0.0000
N2 -0.3802 -0.5169 0.0000   -0.5709 -0.2929 0.0000
C3 -0.3802 1.8010 0.0000   1.7173 -0.6626 0.0000
C4 0.3802 -1.8010 0.0000   -1.7173 0.6626 0.0000
H5 -1.4650 1.6340 0.0000   1.3794 -1.7069 0.0000
H6 1.4650 -1.6340 0.0000   -1.3794 1.7069 0.0000
H7 -0.0745 2.3724 0.8857   2.3301 -0.4520 0.8857
H8 -0.0745 2.3724 -0.8857   2.3301 -0.4520 -0.8857
H9 0.0745 -2.3724 0.8857   -2.3301 0.4520 0.8857
H10 0.0745 -2.3724 -0.8857   -2.3301 0.4520 -0.8857
Atom - Atom Distances (Å)
  N1 N2 C3 C4 H5 H6 H7 H8 H9 H10
N1 1.2833 1.4924 2.3179 2.1571 2.4090 2.1058 2.1058 3.0374 3.0374
N2 1.2833 2.3179 1.4924 2.4090 2.1571 3.0374 3.0374 2.1058 2.1058
C3 1.4924 2.3179 3.6814 1.0976 3.8992 1.0975 1.0975 4.2905 4.2905
C4 2.3179 1.4924 3.6814 3.8992 1.0976 4.2905 4.2905 1.0975 1.0975
H5 2.1571 2.4090 1.0976 3.8992 4.3892 1.8064 1.8064 4.3825 4.3825
H6 2.4090 2.1571 3.8992 1.0976 4.3892 4.3825 4.3825 1.8064 1.8064
H7 2.1058 3.0374 1.0975 4.2905 1.8064 4.3825 1.7715 4.7471 5.0669
H8 2.1058 3.0374 1.0975 4.2905 1.8064 4.3825 1.7715 5.0669 4.7471
H9 3.0374 2.1058 4.2905 1.0975 4.3825 1.8064 4.7471 5.0669 1.7715
H10 3.0374 2.1058 4.2905 1.0975 4.3825 1.8064 5.0669 4.7471 1.7715
Maximum atom distance is 5.0669Å between atoms H7 and H10.
picture of (E)-1,2-Dimethyldiazene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 N2 C4 113.030 N2 N1 C3 113.030
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 111.882 N1 C3 H7 107.823
N1 C3 H8 107.823 N2 C4 H6 111.882
N2 C4 H9 107.823 N2 C4 H10 107.823
H5 C3 H7 110.762 H5 C3 H8 110.762
H6 C4 H9 110.762 H6 C4 H10 110.762
H7 C3 H8 107.620 H9 C4 H10 107.620

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