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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 -1.0509 -0.6223 0.0000   1.2022 0.2153 0.0000
C2 0.0000 0.4605 0.0000   -0.1611 -0.4314 0.0000
N3 1.2586 0.1580 0.0000   -1.2343 0.2923 0.0000
H4 -0.5639 -1.5997 0.0000   1.0879 1.3014 0.0000
H5 -1.6930 -0.5302 0.8836   1.7715 -0.0956 0.8836
H6 -1.6930 -0.5302 -0.8836   1.7715 -0.0956 -0.8836
H7 -0.3650 1.4986 0.0000   -0.1823 -1.5316 0.0000
H8 1.8102 1.0263 0.0000   -2.0548 -0.3282 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7 H8
C1 1.5089 2.4378 1.0921 1.0962 1.0962 2.2290 3.3021
C2 1.5089 1.2945 2.1360 2.1514 2.1514 1.1004 1.8965
N3 2.4378 1.2945 2.5320 3.1570 3.1570 2.1056 1.0287
H4 1.0921 2.1360 2.5320 1.7887 1.7887 3.1047 3.5401
H5 1.0962 2.1514 3.1570 1.7887 1.7673 2.5808 3.9339
H6 1.0962 2.1514 3.1570 1.7887 1.7673 2.5808 3.9339
H7 2.2290 1.1004 2.1056 3.1047 2.5808 2.5808 2.2259
H8 3.3021 1.8965 1.0287 3.5401 3.9339 3.9339 2.2259
Maximum atom distance is 3.9339Å 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 120.627
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 116.482 C2 C1 H4 109.372
C2 C1 H5 110.346 C2 C1 H6 110.346
C2 N3 H8 108.907 N3 C2 H7 122.891
H4 C1 H5 109.657 H4 C1 H6 109.657
H5 C1 H6 107.437

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