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Geometry for HCCNH2 (Ethynamine) 1A' CS

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

MP3/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0757 1.3624 0.0000   1.3643 0.0000 0.0220
C2 0.0000 0.1644 0.0000   0.1642 0.0000 -0.0065
N3 0.0303 -1.1974 0.0000   -1.1953 0.0000 0.0774
H4 0.0780 2.4214 0.0000   2.4226 0.0000 -0.0175
H5 -0.3721 -1.6000 0.8307   -1.6134 0.8307 -0.3088
H6 -0.3721 -1.6000 -0.8307   -1.6134 -0.8307 -0.3088
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.2004 2.5602 1.0590 3.1090 3.1090
C2 1.2004 1.3621 2.2584 1.9853 1.9853
N3 2.5602 1.3621 3.6191 1.0070 1.0070
H4 1.0590 2.2584 3.6191 4.1308 4.1308
H5 3.1090 1.9853 1.0070 4.1308 1.6613
H6 3.1090 1.9853 1.0070 4.1308 1.6613
Maximum atom distance is 4.1308Å 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 175.111
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 176.510 C2 N3 H5 113.001
C2 N3 H6 113.001 H5 N3 H6 111.161

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