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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

HF/CEP-121G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.3638 0.4887 0.0000   0.5379 0.2861 0.0000
N2 -0.3638 -0.4887 0.0000   -0.5379 -0.2861 0.0000
C3 -0.3638 1.7580 0.0000   1.6832 -0.6243 0.0000
C4 0.3638 -1.7580 0.0000   -1.6832 0.6243 0.0000
H5 -1.4383 1.6069 0.0000   1.3721 -1.6638 0.0000
H6 1.4383 -1.6069 0.0000   -1.3721 1.6638 0.0000
H7 -0.0594 2.3213 0.8774   2.2859 -0.4082 0.8774
H8 -0.0594 2.3213 -0.8774   2.2859 -0.4082 -0.8774
H9 0.0594 -2.3213 0.8774   -2.2859 0.4082 0.8774
H10 0.0594 -2.3213 -0.8774   -2.2859 0.4082 -0.8774
Atom - Atom Distances (Å)
  N1 N2 C3 C4 H5 H6 H7 H8 H9 H10
N1 1.2186 1.4630 2.2467 2.1208 2.3551 2.0753 2.0753 2.9595 2.9595
N2 1.2186 2.2467 1.4630 2.3551 2.1208 2.9595 2.9595 2.0753 2.0753
C3 1.4630 2.2467 3.5904 1.0851 3.8171 1.0862 1.0862 4.1939 4.1939
C4 2.2467 1.4630 3.5904 3.8171 1.0851 4.1939 4.1939 1.0862 1.0862
H5 2.1208 2.3551 1.0851 3.8171 4.3132 1.7837 1.7837 4.2946 4.2946
H6 2.3551 2.1208 3.8171 1.0851 4.3132 4.2946 4.2946 1.7837 1.7837
H7 2.0753 2.9595 1.0862 4.1939 1.7837 4.2946 1.7547 4.6441 4.9645
H8 2.0753 2.9595 1.0862 4.1939 1.7837 4.2946 1.7547 4.9645 4.6441
H9 2.9595 2.0753 4.1939 1.0862 4.2946 1.7837 4.6441 4.9645 1.7547
H10 2.9595 2.0753 4.1939 1.0862 4.2946 1.7837 4.9645 4.6441 1.7547
Maximum atom distance is 4.9645Å 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 113.512 N2 N1 C3 113.512
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 111.822 N1 C3 H7 108.093
N1 C3 H8 108.093 N2 C4 H6 111.822
N2 C4 H9 108.093 N2 C4 H10 108.093
H5 C3 H7 110.470 H5 C3 H8 110.470
H6 C4 H9 110.470 H6 C4 H10 110.470
H7 C3 H8 107.757 H9 C4 H10 107.757

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