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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

CID/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.0462 -0.6346 0.0000   1.2105 0.1787 0.0000
C2 0.0000 0.4607 0.0000   -0.1788 -0.4246 0.0000
N3 1.2477 0.1799 0.0000   -1.2197 0.3184 0.0000
H4 -0.5368 -1.5991 0.0000   1.1154 1.2654 0.0000
H5 -1.6845 -0.5570 0.8862   1.7686 -0.1405 0.8862
H6 -1.6845 -0.5570 -0.8862   1.7686 -0.1405 -0.8862
H7 -0.3998 1.4800 0.0000   -0.2060 -1.5192 0.0000
H8 1.8493 1.0167 0.0000   -2.0989 -0.2193 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7 H8
C1 1.5147 2.4342 1.0908 1.0949 1.0949 2.2112 3.3333
C2 1.5147 1.2789 2.1286 2.1584 2.1584 1.0949 1.9311
N3 2.4342 1.2789 2.5197 3.1506 3.1506 2.0986 1.0306
H4 1.0908 2.1286 2.5197 1.7857 1.7857 3.0822 3.5406
H5 1.0949 2.1584 3.1506 1.7857 1.7725 2.5662 3.9686
H6 1.0949 2.1584 3.1506 1.7857 1.7725 2.5662 3.9686
H7 2.2112 1.0949 2.0986 3.0822 2.5662 2.5662 2.2963
H8 3.3333 1.9311 1.0306 3.5406 3.9686 3.9686 2.2963
Maximum atom distance is 3.9686Å 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 121.006
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.897 C2 C1 H4 108.468
C2 C1 H5 110.573 C2 C1 H6 110.573
C2 N3 H8 113.033 N3 C2 H7 124.097
H4 C1 H5 109.568 H4 C1 H6 109.568
H5 C1 H6 108.079

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