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Geometry for H2CCNH (Ethenimine) 1A' CS

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

HF/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2122 -1.2174 0.0000   0.0448 -0.2074 -1.2174
C2 0.0000 0.0617 0.0000   0.0000 0.0000 0.0617
N3 0.1161 1.2603 0.0000   -0.0245 0.1135 1.2603
H4 -0.2990 -1.7470 0.9277   0.9699 -0.0965 -1.7470
H5 -0.2990 -1.7470 -0.9277   -0.8438 -0.4880 -1.7470
H6 1.0582 1.6060 0.0000   -0.2233 1.0344 1.6060
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.2966 2.4994 1.0718 1.0718 3.0961
C2 1.2966 1.2042 2.0546 2.0546 1.8721
N3 2.4994 1.2042 3.1744 3.1744 1.0035
H4 1.0718 2.0546 3.1744 1.8555 3.7343
H5 1.0718 2.0546 3.1744 1.8555 3.7343
H6 3.0961 1.8721 1.0035 3.7343 3.7343
Maximum atom distance is 3.7343Å 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 176.115
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 120.047 C2 C1 H5 120.047
C2 N3 H6 115.688 H4 C1 H5 119.906

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