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Geometry for HCCNH2 (Ethynamine) 1A' CS

1910171554
InChI=1S/C2H3N/c1-2-3/h1H,3H2 INChIKey=

LSDA/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0195 1.3639 0.0000   1.3640 0.0000 0.0108
C2 0.0000 0.1536 0.0000   0.1536 0.0000 0.0034
N3 0.0903 -1.1776 0.0000   -1.1793 0.0000 0.0642
H4 -0.0533 2.4328 0.0000   2.4334 0.0000 0.0007
H5 -0.2311 -1.6475 0.8448   -1.6419 0.8448 -0.2676
H6 -0.2311 -1.6475 -0.8448   -1.6419 -0.8448 -0.2676
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.2104 2.5439 1.0695 3.1348 3.1348
C2 1.2104 1.3343 2.2798 2.0028 2.0028
N3 2.5439 1.3343 3.6133 1.0187 1.0187
H4 1.0695 2.2798 3.6133 4.1707 4.1707
H5 3.1348 2.0028 1.0187 4.1707 1.6896
H6 3.1348 2.0028 1.0187 4.1707 1.6896
Maximum atom distance is 4.1707Å between atoms H4 and H5.
picture of Ethynamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 177.039
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 179.108 C2 N3 H5 116.029
C2 N3 H6 116.029 H5 N3 H6 112.048

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