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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

B3LYP/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.6167 -0.7784   -0.7784 0.0000 0.6167
N2 0.0000 -0.6167 -0.7784   -0.7784 0.0000 -0.6167
C3 0.0000 1.3606 0.4992   0.4992 0.0000 1.3606
C4 0.0000 -1.3606 0.4992   0.4992 0.0000 -1.3606
H5 0.0000 2.4200 0.2613   0.2613 0.0000 2.4200
H6 0.0000 -2.4200 0.2613   0.2613 0.0000 -2.4200
H7 -0.8849 1.1256 1.0962   1.0962 -0.8849 1.1256
H8 0.8849 1.1256 1.0962   1.0962 0.8849 1.1256
H9 0.8849 -1.1256 1.0962   1.0962 0.8849 -1.1256
H10 -0.8849 -1.1256 1.0962   1.0962 -0.8849 -1.1256
Atom - Atom Distances (Å)
  N1 N2 C3 C4 H5 H6 H7 H8 H9 H10
N1 1.2334 1.4784 2.3541 2.0816 3.2098 2.1345 2.1345 2.7079 2.7079
N2 1.2334 2.3541 1.4784 3.2098 2.0816 2.7079 2.7079 2.1345 2.1345
C3 1.4784 2.3541 2.7212 1.0857 3.7881 1.0930 1.0930 2.7057 2.7057
C4 2.3541 1.4784 2.7212 3.7881 1.0857 2.7057 2.7057 1.0930 1.0930
H5 2.0816 3.2098 1.0857 3.7881 4.8400 1.7764 1.7764 3.7485 3.7485
H6 3.2098 2.0816 3.7881 1.0857 4.8400 3.7485 3.7485 1.7764 1.7764
H7 2.1345 2.7079 1.0930 2.7057 1.7764 3.7485 1.7697 2.8635 2.2512
H8 2.1345 2.7079 1.0930 2.7057 1.7764 3.7485 1.7697 2.2512 2.8635
H9 2.7079 2.1345 2.7057 1.0930 3.7485 1.7764 2.8635 2.2512 1.7697
H10 2.7079 2.1345 2.7057 1.0930 3.7485 1.7764 2.2512 2.8635 1.7697
Maximum atom distance is 4.8400Å 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 120.211 N2 N1 C3 120.211
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 107.558 N1 C3 H7 111.338
N1 C3 H8 111.338 N2 C4 H6 107.558
N2 C4 H9 111.338 N2 C4 H10 111.338
H5 C3 H7 109.235 H5 C3 H8 109.235
H6 C4 H9 109.235 H6 C4 H10 109.235
H7 C3 H8 108.105 H9 C4 H10 108.105

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