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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

B1B95/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.0265 -0.6319 0.0000   1.1910 0.1861 0.0000
C2 0.0000 0.4457 0.0000   -0.1723 -0.4111 0.0000
N3 1.2362 0.1852 0.0000   -1.2117 0.3069 0.0000
H4 -0.5466 -1.6064 0.0000   1.1250 1.2704 0.0000
H5 -1.6715 -0.5431 0.8756   1.7515 -0.1451 0.8756
H6 -1.6715 -0.5431 -0.8756   1.7515 -0.1451 -0.8756
H7 -0.3889 1.4706 0.0000   -0.2096 -1.5066 0.0000
H8 1.7842 1.0429 0.0000   -2.0486 -0.2723 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7 H8
C1 1.4883 2.4057 1.0862 1.0912 1.0912 2.1971 3.2718
C2 1.4883 1.2633 2.1237 2.1303 2.1303 1.0962 1.8815
N3 2.4057 1.2633 2.5275 3.1227 3.1227 2.0720 1.0178
H4 1.0862 2.1237 2.5275 1.7784 1.7784 3.0811 3.5287
H5 1.0912 2.1303 3.1227 1.7784 1.7513 2.5429 3.9017
H6 1.0912 2.1303 3.1227 1.7784 1.7513 2.5429 3.9017
H7 2.1971 1.0962 2.0720 3.0811 2.5429 2.5429 2.2148
H8 3.2718 1.8815 1.0178 3.5287 3.9017 3.9017 2.2148
Maximum atom distance is 3.9017Å 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 121.705
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 115.612 C2 C1 H4 110.177
C2 C1 H5 110.408 C2 C1 H6 110.408
C2 N3 H8 110.675 N3 C2 H7 122.682
H4 C1 H5 109.524 H4 C1 H6 109.524
H5 C1 H6 106.735

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