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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

PBEPBE/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.6266 -0.7860   -0.7860 0.0000 0.6266
N2 0.0000 -0.6266 -0.7860   -0.7860 0.0000 -0.6266
C3 0.0000 1.3685 0.5030   0.5030 0.0000 1.3685
C4 0.0000 -1.3685 0.5030   0.5030 0.0000 -1.3685
H5 0.0000 2.4408 0.2676   0.2676 0.0000 2.4408
H6 0.0000 -2.4408 0.2676   0.2676 0.0000 -2.4408
H7 -0.8941 1.1277 1.1081   1.1081 -0.8941 1.1277
H8 0.8941 1.1277 1.1081   1.1081 0.8941 1.1277
H9 0.8941 -1.1277 1.1081   1.1081 0.8941 -1.1277
H10 -0.8941 -1.1277 1.1081   1.1081 -0.8941 -1.1277
Atom - Atom Distances (Å)
  N1 N2 C3 C4 H5 H6 H7 H8 H9 H10
N1 1.2532 1.4873 2.3753 2.0980 3.2434 2.1537 2.1537 2.7322 2.7322
N2 1.2532 2.3753 1.4873 3.2434 2.0980 2.7322 2.7322 2.1537 2.1537
C3 1.4873 2.3753 2.7370 1.0979 3.8166 1.1061 1.1061 2.7197 2.7197
C4 2.3753 1.4873 2.7370 3.8166 1.0979 2.7197 2.7197 1.1061 1.1061
H5 2.0980 3.2434 1.0979 3.8166 4.8817 1.7972 1.7972 3.7737 3.7737
H6 3.2434 2.0980 3.8166 1.0979 4.8817 3.7737 3.7737 1.7972 1.7972
H7 2.1537 2.7322 1.1061 2.7197 1.7972 3.7737 1.7883 2.8784 2.2555
H8 2.1537 2.7322 1.1061 2.7197 1.7972 3.7737 1.7883 2.2555 2.8784
H9 2.7322 2.1537 2.7197 1.1061 3.7737 1.7972 2.8784 2.2555 1.7883
H10 2.7322 2.1537 2.7197 1.1061 3.7737 1.7972 2.2555 2.8784 1.7883
Maximum atom distance is 4.8817Å 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 119.922 N2 N1 C3 119.922
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 107.540 N1 C3 H7 111.439
N1 C3 H8 111.439 N2 C4 H6 107.540
N2 C4 H9 111.439 N2 C4 H10 111.439
H5 C3 H7 109.263 H5 C3 H8 109.263
H6 C4 H9 109.263 H6 C4 H10 109.263
H7 C3 H8 107.868 H9 C4 H10 107.868

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