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Geometry for HCCNH2 (Ethynamine) 1A' CS

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

LSDA/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0308 1.3701 0.0000   1.3704 0.0000 0.0118
C2 0.0000 0.1531 0.0000   0.1531 0.0000 0.0048
N3 0.0994 -1.1817 0.0000   -1.1842 0.0000 0.0626
H4 -0.0876 2.4414 0.0000   2.4430 0.0000 -0.0115
H5 -0.2116 -1.6544 0.8488   -1.6470 0.8488 -0.2631
H6 -0.2116 -1.6544 -0.8488   -1.6470 -0.8488 -0.2631
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.2173 2.5550 1.0728 3.1465 3.1465
C2 1.2173 1.3385 2.2899 2.0081 2.0081
N3 2.5550 1.3385 3.6279 1.0202 1.0202
H4 1.0728 2.2899 3.6279 4.1847 4.1847
H5 3.1465 2.0081 1.0202 4.1847 1.6977
H6 3.1465 2.0081 1.0202 4.1847 1.6977
Maximum atom distance is 4.1847Å 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 177.192
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 178.420 C2 N3 H5 116.071
C2 N3 H6 116.071 H5 N3 H6 112.617

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