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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

HSEh1PBE/6-311G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.3677 0.4938 0.0000   0.4301 0.4405 0.0000
N2 -0.3677 -0.4938 0.0000   -0.4301 -0.4405 0.0000
C3 -0.3677 1.7471 0.0000   1.7831 -0.0896 0.0000
C4 0.3677 -1.7471 0.0000   -1.7831 0.0896 0.0000
H5 -1.4503 1.5903 0.0000   1.7978 -1.1834 0.0000
H6 1.4503 -1.5903 0.0000   -1.7978 1.1834 0.0000
H7 -0.0601 2.3196 0.8796   2.3004 0.3038 0.8796
H8 -0.0601 2.3196 -0.8796   2.3004 0.3038 -0.8796
H9 0.0601 -2.3196 0.8796   -2.3004 -0.3038 0.8796
H10 0.0601 -2.3196 -0.8796   -2.3004 -0.3038 -0.8796
Atom - Atom Distances (Å)
  N1 N2 C3 C4 H5 H6 H7 H8 H9 H10
N1 1.2314 1.4532 2.2409 2.1231 2.3485 2.0713 2.0713 2.9636 2.9636
N2 1.2314 2.2409 1.4532 2.3485 2.1231 2.9636 2.9636 2.0713 2.0713
C3 1.4532 2.2409 3.5708 1.0939 3.8005 1.0936 1.0936 4.1826 4.1826
C4 2.2409 1.4532 3.5708 3.8005 1.0939 4.1826 4.1826 1.0936 1.0936
H5 2.1231 2.3485 1.0939 3.8005 4.3046 1.7994 1.7994 4.2828 4.2828
H6 2.3485 2.1231 3.8005 1.0939 4.3046 4.2828 4.2828 1.7994 1.7994
H7 2.0713 2.9636 1.0936 4.1826 1.7994 4.2828 1.7591 4.6407 4.9629
H8 2.0713 2.9636 1.0936 4.1826 1.7994 4.2828 1.7591 4.9629 4.6407
H9 2.9636 2.0713 4.1826 1.0936 4.2828 1.7994 4.6407 4.9629 1.7591
H10 2.9636 2.0713 4.1826 1.0936 4.2828 1.7994 4.9629 4.6407 1.7591
Maximum atom distance is 4.9629Å 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 112.919 N2 N1 C3 112.919
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 112.165 N1 C3 H7 108.006
N1 C3 H8 108.006 N2 C4 H6 112.165
N2 C4 H9 108.006 N2 C4 H10 108.006
H5 C3 H7 110.695 H5 C3 H8 110.695
H6 C4 H9 110.695 H6 C4 H10 110.695
H7 C3 H8 107.082 H9 C4 H10 107.082

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