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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

MP2=FULL/TZVP


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.3766 0.4989 0.0000   0.4323 0.4515 0.0000
N2 -0.3766 -0.4989 0.0000   -0.4323 -0.4515 0.0000
C3 -0.3766 1.7520 0.0000   1.7897 -0.0917 0.0000
C4 0.3766 -1.7520 0.0000   -1.7897 0.0917 0.0000
H5 -1.4525 1.5773 0.0000   1.7892 -1.1817 0.0000
H6 1.4525 -1.5773 0.0000   -1.7892 1.1817 0.0000
H7 -0.0775 2.3207 0.8795   2.3032 0.2944 0.8795
H8 -0.0775 2.3207 -0.8795   2.3032 0.2944 -0.8795
H9 0.0775 -2.3207 0.8795   -2.3032 -0.2944 0.8795
H10 0.0775 -2.3207 -0.8795   -2.3032 -0.2944 -0.8795
Atom - Atom Distances (Å)
  N1 N2 C3 C4 H5 H6 H7 H8 H9 H10
N1 1.2501 1.4620 2.2509 2.1233 2.3384 2.0733 2.0733 2.9686 2.9686
N2 1.2501 2.2509 1.4620 2.3384 2.1233 2.9686 2.9686 2.0733 2.0733
C3 1.4620 2.2509 3.5840 1.0900 3.7987 1.0892 1.0892 4.1912 4.1912
C4 2.2509 1.4620 3.5840 3.7987 1.0900 4.1912 4.1912 1.0892 1.0892
H5 2.1233 2.3384 1.0900 3.7987 4.2884 1.7935 1.7935 4.2788 4.2788
H6 2.3384 2.1233 3.7987 1.0900 4.2884 4.2788 4.2788 1.7935 1.7935
H7 2.0733 2.9686 1.0892 4.1912 1.7935 4.2788 1.7590 4.6439 4.9659
H8 2.0733 2.9686 1.0892 4.1912 1.7935 4.2788 1.7590 4.9659 4.6439
H9 2.9686 2.0733 4.1912 1.0892 4.2788 1.7935 4.6439 4.9659 1.7590
H10 2.9686 2.0733 4.1912 1.0892 4.2788 1.7935 4.9659 4.6439 1.7590
Maximum atom distance is 4.9659Å 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 111.950 N2 N1 C3 111.950
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 111.783 N1 C3 H7 107.822
N1 C3 H8 107.822 N2 C4 H6 111.783
N2 C4 H9 107.822 N2 C4 H10 107.822
H5 C3 H7 110.775 H5 C3 H8 110.775
H6 C4 H9 110.775 H6 C4 H10 110.775
H7 C3 H8 107.702 H9 C4 H10 107.702

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