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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

MP2/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.0412 -0.6180 0.0000   1.1951 0.1942 0.0000
C2 0.0000 0.4552 0.0000   -0.1665 -0.4236 0.0000
N3 1.2488 0.1602 0.0000   -1.2209 0.3078 0.0000
H4 -0.5585 -1.5915 0.0000   1.1021 1.2769 0.0000
H5 -1.6813 -0.5289 0.8784   1.7583 -0.1229 0.8784
H6 -1.6813 -0.5289 -0.8784   1.7583 -0.1229 -0.8784
H7 -0.3738 1.4841 0.0000   -0.1951 -1.5180 0.0000
H8 1.8004 1.0208 0.0000   -2.0490 -0.2914 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7 H8
C1 1.4953 2.4187 1.0866 1.0905 1.0905 2.2055 3.2803
C2 1.4953 1.2832 2.1215 2.1370 2.1370 1.0947 1.8871
N3 2.4187 1.2832 2.5170 3.1357 3.1357 2.0942 1.0222
H4 1.0866 2.1215 2.5170 1.7781 1.7781 3.0812 3.5198
H5 1.0905 2.1370 3.1357 1.7781 1.7568 2.5561 3.9109
H6 1.0905 2.1370 3.1357 1.7781 1.7568 2.5561 3.9109
H7 2.2055 1.0947 2.0942 3.0812 2.5561 2.5561 2.2230
H8 3.2803 1.8871 1.0222 3.5198 3.9109 3.9109 2.2230
Maximum atom distance is 3.9109Å 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 120.843
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 115.900 C2 C1 H4 109.493
C2 C1 H5 110.493 C2 C1 H6 110.493
C2 N3 H8 109.361 N3 C2 H7 123.256
H4 C1 H5 109.507 H4 C1 H6 109.507
H5 C1 H6 107.315

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