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Geometry for H2CCNH (Ethenimine) 1A' CS

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

MP2/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2125 -1.2432 0.0000   0.0272 0.2108 -1.2432
C2 0.0000 0.0577 0.0000   0.0000 0.0000 0.0577
N3 -0.3331 1.2509 0.0000   -0.0426 -0.3303 1.2509
H4 0.3077 -1.7821 0.9338   0.9655 0.1858 -1.7821
H5 0.3077 -1.7821 -0.9338   -0.8868 0.4246 -1.7821
H6 0.4408 1.9211 0.0000   0.0564 0.4372 1.9211
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.3182 2.5530 1.0823 1.0823 3.1725
C2 1.3182 1.2387 2.0861 2.0861 1.9147
N3 2.5530 1.2387 3.2375 3.2375 1.0237
H4 1.0823 2.0861 3.2375 1.8676 3.8214
H5 1.0823 2.0861 3.2375 1.8676 3.8214
H6 3.1725 1.9147 1.0237 3.8214 3.8214
Maximum atom distance is 3.8214Å 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 173.681
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 120.368 C2 C1 H5 120.368
C2 N3 H6 115.298 H4 C1 H5 119.259

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