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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

B3LYP/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.0461 -0.6143 0.0000   1.2061 0.1314 0.0000
C2 0.0000 0.4845 0.0000   -0.1987 -0.4419 0.0000
N3 1.2898 0.3643 0.0000   -1.3257 0.1966 0.0000
H4 -0.5893 -1.6116 0.0000   1.1983 1.2283 0.0000
H5 -1.6931 -0.5241 0.8839   1.7591 -0.2162 0.8839
H6 -1.6931 -0.5241 -0.8839   1.7591 -0.2162 -0.8839
H7 -0.3836 1.5097 0.0000   -0.2692 -1.5342 0.0000
H8 1.6075 -0.6210 0.0000   -1.2115 1.2255 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7 H8
C1 1.5172 2.5326 1.0970 1.0991 1.0991 2.2250 2.6536
C2 1.5172 1.2954 2.1774 2.1599 2.1599 1.0946 1.9509
N3 2.5326 1.2954 2.7267 3.2354 3.2354 2.0278 1.0352
H4 1.0970 2.1774 2.7267 1.7840 1.7840 3.1281 2.4098
H5 1.0991 2.1599 3.2354 1.7840 1.7678 2.5753 3.4183
H6 1.0991 2.1599 3.2354 1.7840 1.7678 2.5753 3.4183
H7 2.2250 1.0946 2.0278 3.1281 2.5753 2.5753 2.9162
H8 2.6536 1.9509 1.0352 2.4098 3.4183 3.4183 2.9162
Maximum atom distance is 3.4183Å 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 128.270
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 115.894 C2 C1 H4 111.794
C2 C1 H5 110.267 C2 C1 H6 110.267
C2 N3 H8 113.196 N3 C2 H7 115.836
H4 C1 H5 108.653 H4 C1 H6 108.653
H5 C1 H6 107.068

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