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Geometry for H2CCNH (Ethenimine) 1A' CS

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

B3PW91/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1060 -1.2501 0.0000   -0.0089 -0.1056 -1.2501
C2 0.0000 0.0564 0.0000   0.0000 0.0000 0.0564
N3 0.0080 1.2794 0.0000   0.0007 0.0080 1.2794
H4 -0.1543 -1.8028 0.9312   0.9149 -0.2322 -1.8028
H5 -0.1543 -1.8028 -0.9312   -0.9408 -0.0754 -1.8028
H6 0.8883 1.8123 0.0000   0.0748 0.8851 1.8123
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.3108 2.5321 1.0839 1.0839 3.2198
C2 1.3108 1.2231 2.0851 2.0851 1.9679
N3 2.5321 1.2231 3.2239 3.2239 1.0290
H4 1.0839 2.0851 3.2239 1.8623 3.8760
H5 1.0839 2.0851 3.2239 1.8623 3.8760
H6 3.2198 1.9679 1.0290 3.8760 3.8760
Maximum atom distance is 3.8760Å 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 175.739
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 120.786 C2 C1 H5 120.786
C2 N3 H6 121.568 H4 C1 H5 118.426

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