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

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

BLYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.0640 -0.6367 0.0000   -1.2295 -0.1606 0.0000
C2 0.0000 0.4951 0.0000   0.1971 0.4542 0.0000
N3 1.3260 0.3920 0.0000   1.3725 -0.1683 0.0000
H4 -0.5806 -1.6352 0.0000   -1.1835 -1.2689 0.0000
H5 -1.7151 -0.5529 0.8970   -1.7934 0.1756 0.8970
H6 -1.7151 -0.5529 -0.8970   -1.7934 0.1756 -0.8970
H7 -0.4146 1.5313 0.0000   0.2293 1.5698 0.0000
H8 1.5269 -0.6843 0.0000   1.1283 -1.2355 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7 H8
C1 1.5534 2.6020 1.1093 1.1116 1.1116 2.2633 2.5913
C2 1.5534 1.3300 2.2079 2.2010 2.2010 1.1161 1.9293
N3 2.6020 1.3300 2.7829 3.3084 3.3084 2.0803 1.0948
H4 1.1093 2.2079 2.7829 1.8064 1.8064 3.1709 2.3120
H5 1.1116 2.2010 3.3084 1.8064 1.7940 2.6153 3.3663
H6 1.1116 2.2010 3.3084 1.8064 1.7940 2.6153 3.3663
H7 2.2633 1.1161 2.0803 3.1709 2.6153 2.6153 2.9459
H8 2.5913 1.9293 1.0948 2.3120 3.3663 3.3663 2.9459
Maximum atom distance is 3.3663Å 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 128.784
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.966 C2 C1 H4 110.935
C2 C1 H5 110.256 C2 C1 H6 110.256
C2 N3 H8 105.017 N3 C2 H7 116.250
H4 C1 H5 108.855 H4 C1 H6 108.855
H5 C1 H6 107.604

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