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Geometry for HCCNH2 (Ethynamine) 1A' CS

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

PBEPBEultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0845 1.3770 0.0000   0.0017 0.0845 1.3770
C2 0.0000 0.1581 0.0000   0.0000 0.0000 0.1581
N3 0.0280 -1.2013 0.0000   0.0006 0.0280 -1.2013
H4 0.0471 2.4485 0.0000   0.0010 0.0471 2.4485
H5 -0.3749 -1.6252 0.8396   0.8317 -0.3921 -1.6252
H6 -0.3749 -1.6252 -0.8396   -0.8471 -0.3576 -1.6252
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.2218 2.5789 1.0721 3.1511 3.1511
C2 1.2218 1.3597 2.2909 2.0064 2.0064
N3 2.5789 1.3597 3.6499 1.0232 1.0232
H4 1.0721 2.2909 3.6499 4.1807 4.1807
H5 3.1511 2.0064 1.0232 4.1807 1.6792
H6 3.1511 2.0064 1.0232 4.1807 1.6792
Maximum atom distance is 4.1807Å 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 174.856
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 174.036 C2 N3 H5 113.962
C2 N3 H6 113.962 H5 N3 H6 110.283

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