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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

QCISD/6-31G(2df,p)


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.3760 0.4944 0.0000   0.5475 0.2934 0.0000
N2 -0.3760 -0.4944 0.0000   -0.5475 -0.2934 0.0000
C3 -0.3760 1.7539 0.0000   1.6726 -0.6479 0.0000
C4 0.3760 -1.7539 0.0000   -1.6726 0.6479 0.0000
H5 -1.4549 1.5839 0.0000   1.3347 -1.6864 0.0000
H6 1.4549 -1.5839 0.0000   -1.3347 1.6864 0.0000
H7 -0.0768 2.3258 0.8816   2.2846 -0.4427 0.8816
H8 -0.0768 2.3258 -0.8816   2.2846 -0.4427 -0.8816
H9 0.0768 -2.3258 0.8816   -2.2846 0.4427 0.8816
H10 0.0768 -2.3258 -0.8816   -2.2846 0.4427 -0.8816
Atom - Atom Distances (Å)
  N1 N2 C3 C4 H5 H6 H7 H8 H9 H10
N1 1.2423 1.4670 2.2483 2.1306 2.3416 2.0824 2.0824 2.9699 2.9699
N2 1.2423 2.2483 1.4670 2.3416 2.1306 2.9699 2.9699 2.0824 2.0824
C3 1.4670 2.2483 3.5875 1.0921 3.8070 1.0926 1.0926 4.1983 4.1983
C4 2.2483 1.4670 3.5875 3.8070 1.0921 4.1983 4.1983 1.0926 1.0926
H5 2.1306 2.3416 1.0921 3.8070 4.3014 1.7962 1.7962 4.2906 4.2906
H6 2.3416 2.1306 3.8070 1.0921 4.3014 4.2906 4.2906 1.7962 1.7962
H7 2.0824 2.9699 1.0926 4.1983 1.7962 4.2906 1.7632 4.6541 4.9769
H8 2.0824 2.9699 1.0926 4.1983 1.7962 4.2906 1.7632 4.9769 4.6541
H9 2.9699 2.0824 4.1983 1.0926 4.2906 1.7962 4.6541 4.9769 1.7632
H10 2.9699 2.0824 4.1983 1.0926 4.2906 1.7962 4.9769 4.6541 1.7632
Maximum atom distance is 4.9769Å 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 111.900 N2 N1 C3 111.900
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 111.891 N1 C3 H7 107.999
N1 C3 H8 107.999 N2 C4 H6 111.891
N2 C4 H9 107.999 N2 C4 H10 107.999
H5 C3 H7 110.607 H5 C3 H8 110.607
H6 C4 H9 110.607 H6 C4 H10 110.607
H7 C3 H8 107.583 H9 C4 H10 107.583

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