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Geometry for CH3CHN (methylmethaniminyl radical) 2A' CS

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

PBEPBE/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4970 0.0000   -0.2774 -0.4124 0.0000
C2 -0.8860 -0.7660 0.0000   1.1627 0.1412 0.0000
N3 1.3145 0.4803 0.0000   -1.3588 0.3350 0.0000
H4 -0.5488 1.4730 0.0000   -0.3666 -1.5285 0.0000
H5 -0.2616 -1.6784 0.0000   1.1538 1.2468 0.0000
H6 -1.5374 -0.7712 0.8973   1.7061 -0.2180 0.8973
H7 -1.5374 -0.7712 -0.8973   1.7061 -0.2180 -0.8973
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7
C1 1.5428 1.3146 1.1196 2.1911 2.1857 2.1857
C2 1.5428 2.5289 2.2642 1.1056 1.1088 1.1088
N3 1.3146 2.5289 2.1112 2.6728 3.2411 3.2411
H4 1.1196 2.2642 2.1112 3.1644 2.6113 2.6113
H5 2.1911 1.1056 2.6728 3.1644 1.8044 1.8044
H6 2.1857 1.1088 3.2411 2.6113 1.8044 1.7946
H7 2.1857 1.1088 3.2411 2.6113 1.8044 1.7946
Maximum atom distance is 3.2411Å 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 124.317
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.567 C1 C2 H6 109.948
C1 C2 H7 109.948 C2 C1 H4 115.602
N3 C1 H4 120.080 H5 C2 H6 109.145
H5 C2 H7 109.145 H6 C2 H7 108.039

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