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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

B3LYP/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.0607 -0.6213 0.0000   1.2190 0.1586 0.0000
C2 0.0000 0.4603 0.0000   -0.1795 -0.4239 0.0000
N3 1.2661 0.1614 0.0000   -1.2288 0.3450 0.0000
H4 -0.5851 -1.6062 0.0000   1.1650 1.2510 0.0000
H5 -1.7075 -0.5281 0.8848   1.7783 -0.1794 0.8848
H6 -1.7075 -0.5281 -0.8848   1.7783 -0.1794 -0.8848
H7 -0.3718 1.4998 0.0000   -0.2424 -1.5260 0.0000
H8 1.8735 0.9985 0.0000   -2.1146 -0.1890 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7 H8
C1 1.5149 2.4549 1.0938 1.0999 1.0999 2.2301 3.3516
C2 1.5149 1.3009 2.1478 2.1623 2.1623 1.1039 1.9493
N3 2.4549 1.3009 2.5596 3.1781 3.1781 2.1151 1.0342
H4 1.0938 2.1478 2.5596 1.7902 1.7902 3.1133 3.5818
H5 1.0999 2.1623 3.1781 1.7902 1.7696 2.5845 3.9921
H6 1.0999 2.1623 3.1781 1.7902 1.7696 2.5845 3.9921
H7 2.2301 1.1039 2.1151 3.1133 2.5845 2.5845 2.3006
H8 3.3516 1.9493 1.0342 3.5818 3.9921 3.9921 2.3006
Maximum atom distance is 3.9921Å 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 121.158
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 115.879 C2 C1 H4 109.783
C2 C1 H5 110.565 C2 C1 H6 110.565
C2 N3 H8 112.686 N3 C2 H7 122.963
H4 C1 H5 109.387 H4 C1 H6 109.387
H5 C1 H6 107.106

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