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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

PBE1PBE/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.6150 -0.7761   0.6150 -0.7761 0.0000
N2 0.0000 -0.6150 -0.7761   -0.6150 -0.7761 0.0000
C3 0.0000 1.3423 0.4957   1.3423 0.4957 0.0000
C4 0.0000 -1.3423 0.4957   -1.3423 0.4957 0.0000
H5 0.0000 2.4060 0.2719   2.4060 0.2719 0.0000
H6 0.0000 -2.4060 0.2719   -2.4060 0.2719 0.0000
H7 -0.8846 1.1002 1.0932   1.1002 1.0932 -0.8846
H8 0.8846 1.1002 1.0932   1.1002 1.0932 0.8846
H9 0.8846 -1.1002 1.0932   -1.1002 1.0932 0.8846
H10 -0.8846 -1.1002 1.0932   -1.1002 1.0932 -0.8846
Atom - Atom Distances (Å)
  N1 N2 C3 C4 H5 H6 H7 H8 H9 H10
N1 1.2301 1.4651 2.3343 2.0751 3.1977 2.1242 2.1242 2.6868 2.6868
N2 1.2301 2.3343 1.4651 3.1977 2.0751 2.6868 2.6868 2.1242 2.1242
C3 1.4651 2.3343 2.6846 1.0870 3.7550 1.0946 1.0946 2.6656 2.6656
C4 2.3343 1.4651 2.6846 3.7550 1.0870 2.6656 2.6656 1.0946 1.0946
H5 2.0751 3.1977 1.0870 3.7550 4.8121 1.7783 1.7783 3.7082 3.7082
H6 3.1977 2.0751 3.7550 1.0870 4.8121 3.7082 3.7082 1.7783 1.7783
H7 2.1242 2.6868 1.0946 2.6656 1.7783 3.7082 1.7692 2.8234 2.2004
H8 2.1242 2.6868 1.0946 2.6656 1.7783 3.7082 1.7692 2.2004 2.8234
H9 2.6868 2.1242 2.6656 1.0946 3.7082 1.7783 2.8234 2.2004 1.7692
H10 2.6868 2.1242 2.6656 1.0946 3.7082 1.7783 2.2004 2.8234 1.7692
Maximum atom distance is 4.8121Å 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 119.763 N2 N1 C3 119.763
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 107.879 N1 C3 H7 111.349
N1 C3 H8 111.349 N2 C4 H6 107.879
N2 C4 H9 111.349 N2 C4 H10 111.349
H5 C3 H7 109.200 H5 C3 H8 109.200
H6 C4 H9 109.200 H6 C4 H10 109.200
H7 C3 H8 107.831 H9 C4 H10 107.831

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