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Geometry for CH3CHN (methylmethaniminyl radical) 2A' CS

1910171554
InChI=1S/C2H4N/c1-2-3/h2H,1H3 INChIKey=IBGMUOPBPGVUMD-UHFFFAOYSA-N

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4845 0.0000   -0.2750 -0.3989 0.0000
C2 -0.8300 -0.7731 0.0000   1.1221 0.1654 0.0000
N3 1.2354 0.5046 0.0000   -1.3035 0.2858 0.0000
H4 -0.5380 1.4388 0.0000   -0.3737 -1.4900 0.0000
H5 -0.1880 -1.6511 0.0000   1.0919 1.2527 0.0000
H6 -1.4710 -0.7939 0.8823   1.6618 -0.1813 0.8823
H7 -1.4710 -0.7939 -0.8823   1.6618 -0.1813 -0.8823
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7
C1 1.5068 1.2356 1.0955 2.1439 2.1394 2.1394
C2 1.5068 2.4287 2.2311 1.0877 1.0908 1.0908
N3 1.2356 2.4287 2.0045 2.5833 3.1288 3.1288
H4 1.0955 2.2311 2.0045 3.1097 2.5757 2.5757
H5 2.1439 1.0877 2.5833 3.1097 1.7775 1.7775
H6 2.1394 1.0908 3.1288 2.5757 1.7775 1.7647
H7 2.1394 1.0908 3.1288 2.5757 1.7775 1.7647
Maximum atom distance is 3.1288Å between atoms N3 and H6.
picture of methylmethaniminyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 N3 124.356
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.402 C1 C2 H6 109.857
C1 C2 H7 109.857 C2 C1 H4 117.163
N3 C1 H4 118.482 H5 C2 H6 109.356
H5 C2 H7 109.356 H6 C2 H7 107.972

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