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Geometry for NH2CH2CN (Aminoacetonitrile) 1A' CS

1910171554
InChI=1S/C2H4N2/c3-1-2-4/h1,3H2 INChIKey=DFNYGALUNNFWKJ-UHFFFAOYSA-N

CCSD=FULL/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.4531 0.7273 0.0000   1.5696 0.4203 0.0000
C2 0.0000 0.8277 0.0000   0.5493 -0.6191 0.0000
C3 0.7195 -0.4675 0.0000   -0.8484 -0.1278 0.0000
N4 1.2502 -1.4942 0.0000   -1.9268 0.2880 0.0000
H5 -1.7692 0.2138 0.8136   1.4654 1.0142 0.8136
H6 -1.7692 0.2138 -0.8136   1.4654 1.0142 -0.8136
H7 0.3208 1.3896 0.8766   0.6822 -1.2524 0.8766
H8 0.3208 1.3896 -0.8766   0.6822 -1.2524 -0.8766
Atom - Atom Distances (Å)
  N1 C2 C3 N4 H5 H6 H7 H8
N1 1.4565 2.4794 3.4989 1.0127 1.0127 2.0865 2.0865
C2 1.4565 1.4816 2.6370 2.0418 2.0418 1.0895 1.0895
C3 2.4794 1.4816 1.1558 2.7055 2.7055 2.0919 2.0919
N4 3.4989 2.6370 1.1558 3.5632 3.5632 3.1541 3.1541
H5 1.0127 2.0418 2.7055 3.5632 1.6272 2.3989 2.9338
H6 1.0127 2.0418 2.7055 3.5632 1.6272 2.9338 2.3989
H7 2.0865 1.0895 2.0919 3.1541 2.3989 2.9338 1.7532
H8 2.0865 1.0895 2.0919 3.1541 2.9338 2.3989 1.7532
Maximum atom distance is 3.5632Å between atoms N4 and H5.
picture of Aminoacetonitrile
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C3 115.101 C2 C3 N4 178.282
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 109.225 N1 C2 H8 109.225
C2 N1 H5 110.269 C2 N1 H6 110.269
C3 C2 H7 107.930 C3 C2 H8 107.930
H5 N1 H6 106.913 H7 C2 H8 107.135

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