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Geometry for CH3CHNH (ethanimine) 1A' CS NH up

1910171554
InChI=1S/C2H5N/c1-2-3/h2-3H,1H3 INChIKey=MPAYEWNVIPXRDP-UHFFFAOYSA-N

MP2/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.0789 -0.6093 0.0000   1.2280 0.1648 0.0000
C2 0.0000 0.4716 0.0000   -0.1752 -0.4379 0.0000
N3 1.2806 0.1366 0.0000   -1.2397 0.3489 0.0000
H4 -0.5960 -1.5972 0.0000   1.1467 1.2614 0.0000
H5 -1.7234 -0.5153 0.8913   1.7915 -0.1619 0.8913
H6 -1.7234 -0.5153 -0.8913   1.7915 -0.1619 -0.8913
H7 -0.3441 1.5227 0.0000   -0.2463 -1.5416 0.0000
H8 1.8962 0.9746 0.0000   -2.1226 -0.2003 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7 H8
C1 1.5272 2.4745 1.0996 1.1040 1.1040 2.2551 3.3704
C2 1.5272 1.3236 2.1529 2.1768 2.1768 1.1060 1.9618
N3 2.4745 1.3236 2.5549 3.2005 3.2005 2.1356 1.0398
H4 1.0996 2.1529 2.5549 1.7989 1.7989 3.1300 3.5812
H5 1.1040 2.1768 3.2005 1.7989 1.7827 2.6173 4.0144
H6 1.1040 2.1768 3.2005 1.7989 1.7827 2.6173 4.0144
H7 2.2551 1.1060 2.1356 3.1300 2.6173 2.6173 2.3064
H8 3.3704 1.9618 1.0398 3.5812 4.0144 4.0144 2.3064
Maximum atom distance is 4.0144Å between atoms H5 and H8.
picture of ethanimine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 120.287
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 116.926 C2 C1 H4 109.003
C2 C1 H5 110.620 C2 C1 H6 110.620
C2 N3 H8 111.645 N3 C2 H7 122.788
H4 C1 H5 109.445 H4 C1 H6 109.445
H5 C1 H6 107.685

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