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Geometry for CH3NNCH3 ((Z)-1,2-Dimethyldiazene) 1A1 C2V

1910171554
InChI=1S/C2H6N2/c1-3-4-2/h1-2H3/b4-3- INChIKey=JCCAVOLDXDEODY-ARJAWSKDSA-N

MP3/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.6228 -0.7836   -0.7836 0.0000 0.6228
N2 0.0000 -0.6228 -0.7836   -0.7836 0.0000 -0.6228
C3 0.0000 1.3526 0.5038   0.5038 0.0000 1.3526
C4 0.0000 -1.3526 0.5038   0.5038 0.0000 -1.3526
H5 0.0000 2.4164 0.2682   0.2682 0.0000 2.4164
H6 0.0000 -2.4164 0.2682   0.2682 0.0000 -2.4164
H7 -0.8897 1.1140 1.0970   1.0970 -0.8897 1.1140
H8 0.8897 1.1140 1.0970   1.0970 0.8897 1.1140
H9 0.8897 -1.1140 1.0970   1.0970 0.8897 -1.1140
H10 -0.8897 -1.1140 1.0970   1.0970 -0.8897 -1.1140
Atom - Atom Distances (Å)
  N1 N2 C3 C4 H5 H6 H7 H8 H9 H10
N1 1.2457 1.4799 2.3580 2.0791 3.2160 2.1376 2.1376 2.7102 2.7102
N2 1.2457 2.3580 1.4799 3.2160 2.0791 2.7102 2.7102 2.1376 2.1376
C3 1.4799 2.3580 2.7053 1.0895 3.7764 1.0957 1.0957 2.6885 2.6885
C4 2.3580 1.4799 2.7053 3.7764 1.0895 2.6885 2.6885 1.0957 1.0957
H5 2.0791 3.2160 1.0895 3.7764 4.8327 1.7818 1.7818 3.7339 3.7339
H6 3.2160 2.0791 3.7764 1.0895 4.8327 3.7339 3.7339 1.7818 1.7818
H7 2.1376 2.7102 1.0957 2.6885 1.7818 3.7339 1.7795 2.8515 2.2281
H8 2.1376 2.7102 1.0957 2.6885 1.7818 3.7339 1.7795 2.2281 2.8515
H9 2.7102 2.1376 2.6885 1.0957 3.7339 1.7818 2.8515 2.2281 1.7795
H10 2.7102 2.1376 2.6885 1.0957 3.7339 1.7818 2.2281 2.8515 1.7795
Maximum atom distance is 4.8327Å between atoms H5 and H6.
picture of (Z)-1,2-Dimethyldiazene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 N2 C4 119.548 N2 N1 C3 119.548
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 107.057 N1 C3 H7 111.321
N1 C3 H8 111.321 N2 C4 H6 107.057
N2 C4 H9 111.321 N2 C4 H10 111.321
H5 C3 H7 109.252 H5 C3 H8 109.252
H6 C4 H9 109.252 H6 C4 H10 109.252
H7 C3 H8 108.596 H9 C4 H10 108.596

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