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Geometry for H2CCNH (Ethenimine) 1A' CS

1910171554
InChI=1S/C2H3N/c1-2-3/h3H,1H2 INChIKey=ZUKSLMGYYPZZJD-UHFFFAOYSA-N

mPW1PW91/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0622 -1.2456 0.0000   0.0041 0.0621 -1.2456
C2 0.0000 0.0594 0.0000   0.0000 0.0000 0.0594
N3 -0.1751 1.2660 0.0000   -0.0116 -0.1747 1.2660
H4 0.0944 -1.7927 0.9325   0.9367 0.0325 -1.7927
H5 0.0944 -1.7927 -0.9325   -0.9242 0.1559 -1.7927
H6 0.6636 1.8410 0.0000   0.0439 0.6622 1.8410
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.3064 2.5227 1.0817 1.0817 3.1446
C2 1.3064 1.2192 2.0757 2.0757 1.9013
N3 2.5227 1.2192 3.2090 3.2090 1.0170
H4 1.0817 2.0757 3.2090 1.8650 3.7944
H5 1.0817 2.0757 3.2090 1.8650 3.7944
H6 3.1446 1.9013 1.0170 3.7944 3.7944
Maximum atom distance is 3.7944Å between atoms H4 and H6.
picture of Ethenimine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 174.472
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 120.444 C2 C1 H5 120.444
C2 N3 H6 116.178 H4 C1 H5 119.107

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