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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

CCD/aug-cc-pVTZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.3701 0.4928 0.0000   0.4283 0.4431 0.0000
N2 -0.3701 -0.4928 0.0000   -0.4283 -0.4431 0.0000
C3 -0.3701 1.7550 0.0000   1.7914 -0.0889 0.0000
C4 0.3701 -1.7550 0.0000   -1.7914 0.0889 0.0000
H5 -1.4476 1.5902 0.0000   1.7985 -1.1789 0.0000
H6 1.4476 -1.5902 0.0000   -1.7985 1.1789 0.0000
H7 -0.0670 2.3213 0.8805   2.3028 0.2996 0.8805
H8 -0.0670 2.3213 -0.8805   2.3028 0.2996 -0.8805
H9 0.0670 -2.3213 0.8805   -2.3028 -0.2996 0.8805
H10 0.0670 -2.3213 -0.8805   -2.3028 -0.2996 -0.8805
Atom - Atom Distances (Å)
  N1 N2 C3 C4 H5 H6 H7 H8 H9 H10
N1 1.2326 1.4632 2.2478 2.1233 2.3452 2.0760 2.0760 2.9642 2.9642
N2 1.2326 2.2478 1.4632 2.3452 2.1233 2.9642 2.9642 2.0760 2.0760
C3 1.4632 2.2478 3.5872 1.0900 3.8072 1.0899 1.0899 4.1931 4.1931
C4 2.2478 1.4632 3.5872 3.8072 1.0900 4.1931 4.1931 1.0899 1.0899
H5 2.1233 2.3452 1.0900 3.8072 4.3008 1.7932 1.7932 4.2859 4.2859
H6 2.3452 2.1233 3.8072 1.0900 4.3008 4.2859 4.2859 1.7932 1.7932
H7 2.0760 2.9642 1.0899 4.1931 1.7932 4.2859 1.7610 4.6445 4.9671
H8 2.0760 2.9642 1.0899 4.1931 1.7932 4.2859 1.7610 4.9671 4.6445
H9 2.9642 2.0760 4.1931 1.0899 4.2859 1.7932 4.6445 4.9671 1.7610
H10 2.9642 2.0760 4.1931 1.0899 4.2859 1.7932 4.9671 4.6445 1.7610
Maximum atom distance is 4.9671Å 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 112.707 N2 N1 C3 112.707
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 111.696 N1 C3 H7 107.910
N1 C3 H8 107.910 N2 C4 H6 111.696
N2 C4 H9 107.910 N2 C4 H10 107.910
H5 C3 H7 110.699 H5 C3 H8 110.699
H6 C4 H9 110.699 H6 C4 H10 110.699
H7 C3 H8 107.778 H9 C4 H10 107.778

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