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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

PBEPBEultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.0280 -0.6239 0.0000   -1.1921 -0.1578 0.0000
C2 0.0000 0.4792 0.0000   0.1927 0.4387 0.0000
N3 1.2791 0.3840 0.0000   1.3255 -0.1628 0.0000
H4 -0.5539 -1.6203 0.0000   -1.1587 -1.2608 0.0000
H5 -1.6844 -0.5429 0.8862   -1.7605 0.1804 0.8862
H6 -1.6844 -0.5429 -0.8862   -1.7605 0.1804 -0.8862
H7 -0.4103 1.5063 0.0000   0.2301 1.5441 0.0000
H8 1.5471 -0.6196 0.0000   1.1673 -1.1894 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7 H8
C1 1.5078 2.5176 1.1034 1.1058 1.1058 2.2180 2.5751
C2 1.5078 1.2826 2.1713 2.1604 2.1604 1.1060 1.8976
N3 2.5176 1.2826 2.7161 3.2290 3.2290 2.0282 1.0387
H4 1.1034 2.1713 2.7161 1.7956 1.7956 3.1299 2.3272
H5 1.1058 2.1604 3.2290 1.7956 1.7724 2.5705 3.3517
H6 1.1058 2.1604 3.2290 1.7956 1.7724 2.5705 3.3517
H7 2.2180 1.1060 2.0282 3.1299 2.5705 2.5705 2.8898
H8 2.5751 1.8976 1.0387 2.3272 3.3517 3.3517 2.8898
Maximum atom distance is 3.3517Å 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 128.724
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 115.245 C2 C1 H4 111.574
C2 C1 H5 110.553 C2 C1 H6 110.553
C2 N3 H8 109.211 N3 C2 H7 116.032
H4 C1 H5 108.739 H4 C1 H6 108.739
H5 C1 H6 106.526

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