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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

LSDA/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.0120 -0.6047 0.0000   -1.1683 -0.1581 0.0000
C2 0.0000 0.4752 0.0000   0.1868 0.4369 0.0000
N3 1.2597 0.3640 0.0000   1.3014 -0.1606 0.0000
H4 -0.5410 -1.5994 0.0000   -1.1262 -1.2579 0.0000
H5 -1.6683 -0.5212 0.8818   -1.7389 0.1767 0.8818
H6 -1.6683 -0.5212 -0.8818   -1.7389 0.1767 -0.8818
H7 -0.4001 1.5054 0.0000   0.2240 1.5415 0.0000
H8 1.5319 -0.6342 0.0000   1.1591 -1.1854 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7 H8
C1 1.4800 2.4696 1.1006 1.1024 1.1024 2.1970 2.5441
C2 1.4800 1.2646 2.1439 2.1339 2.1339 1.1052 1.8914
N3 2.4696 1.2646 2.6641 3.1835 3.1835 2.0144 1.0346
H4 1.1006 2.1439 2.6641 1.7919 1.7919 3.1080 2.2865
H5 1.1024 2.1339 3.1835 1.7919 1.7636 2.5481 3.3214
H6 1.1024 2.1339 3.1835 1.7919 1.7636 2.5481 3.3214
H7 2.1970 1.1052 2.0144 3.1080 2.5481 2.5481 2.8828
H8 2.5441 1.8914 1.0346 2.2865 3.3214 3.3214 2.8828
Maximum atom distance is 3.3214Å 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 128.099
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 115.634 C2 C1 H4 111.516
C2 C1 H5 110.598 C2 C1 H6 110.598
C2 N3 H8 110.295 N3 C2 H7 116.268
H4 C1 H5 108.862 H4 C1 H6 108.862
H5 C1 H6 106.241

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