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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

MP4=FULL/aug-cc-pVTZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.3741 0.4983 0.0000   0.5518 0.2894 0.0000
N2 -0.3741 -0.4983 0.0000   -0.5518 -0.2894 0.0000
C3 -0.3741 1.7539 0.0000   1.6713 -0.6503 0.0000
C4 0.3741 -1.7539 0.0000   -1.6713 0.6503 0.0000
H5 -1.4501 1.5780 0.0000   1.3253 -1.6842 0.0000
H6 1.4501 -1.5780 0.0000   -1.3253 1.6842 0.0000
H7 -0.0752 2.3196 0.8822   2.2776 -0.4459 0.8822
H8 -0.0752 2.3196 -0.8822   2.2776 -0.4459 -0.8822
H9 0.0752 -2.3196 0.8822   -2.2776 0.4459 0.8822
H10 0.0752 -2.3196 -0.8822   -2.2776 0.4459 -0.8822
Atom - Atom Distances (Å)
  N1 N2 C3 C4 H5 H6 H7 H8 H9 H10
N1 1.2461 1.4616 2.2521 2.1197 2.3385 2.0730 2.0730 2.9678 2.9678
N2 1.2461 2.2521 1.4616 2.3385 2.1197 2.9678 2.9678 2.0730 2.0730
C3 1.4616 2.2521 3.5866 1.0903 3.7985 1.0898 1.0898 4.1920 4.1920
C4 2.2521 1.4616 3.5866 3.7985 1.0903 4.1920 4.1920 1.0898 1.0898
H5 2.1197 2.3385 1.0903 3.7985 4.2862 1.7940 1.7940 4.2774 4.2774
H6 2.3385 2.1197 3.7985 1.0903 4.2862 4.2774 4.2774 1.7940 1.7940
H7 2.0730 2.9678 1.0898 4.1920 1.7940 4.2774 1.7644 4.6416 4.9656
H8 2.0730 2.9678 1.0898 4.1920 1.7940 4.2774 1.7644 4.9656 4.6416
H9 2.9678 2.0730 4.1920 1.0898 4.2774 1.7940 4.6416 4.9656 1.7644
H10 2.9678 2.0730 4.1920 1.0898 4.2774 1.7940 4.9656 4.6416 1.7644
Maximum atom distance is 4.9656Å 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 112.316 N2 N1 C3 112.316
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 111.505 N1 C3 H7 107.791
N1 C3 H8 107.791 N2 C4 H6 111.505
N2 C4 H9 107.791 N2 C4 H10 107.791
H5 C3 H7 110.758 H5 C3 H8 110.758
H6 C4 H9 110.758 H6 C4 H10 110.758
H7 C3 H8 108.097 H9 C4 H10 108.097

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