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Geometry for NH2CH2CN (Aminoacetonitrile) 1A' CS

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

B3PW91/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.4510 0.7263 0.0000   -1.5670 -0.4214 0.0000
C2 0.0000 0.8261 0.0000   -0.5489 0.6173 0.0000
C3 0.7214 -0.4625 0.0000   0.8465 0.1337 0.0000
N4 1.2475 -1.4984 0.0000   1.9279 -0.2909 0.0000
H5 -1.7756 0.2141 0.8162   -1.4692 -1.0198 0.8162
H6 -1.7756 0.2141 -0.8162   -1.4692 -1.0198 -0.8162
H7 0.3238 1.3976 0.8811   -0.6867 1.2596 0.8811
H8 0.3238 1.3976 -0.8811   -0.6867 1.2596 -0.8811
Atom - Atom Distances (Å)
  N1 C2 C3 N4 H5 H6 H7 H8
N1 1.4545 2.4765 3.4973 1.0168 1.0168 2.0921 2.0921
C2 1.4545 1.4768 2.6381 2.0478 2.0478 1.0990 1.0990
C3 2.4765 1.4768 1.1618 2.7127 2.7127 2.0963 2.0963
N4 3.4973 2.6381 1.1618 3.5690 3.5690 3.1648 3.1648
H5 1.0168 2.0478 2.7127 3.5690 1.6324 2.4108 2.9476
H6 1.0168 2.0478 2.7127 3.5690 1.6324 2.9476 2.4108
H7 2.0921 1.0990 2.0963 3.1648 2.4108 2.9476 1.7622
H8 2.0921 1.0990 2.0963 3.1648 2.9476 2.4108 1.7622
Maximum atom distance is 3.5690Å 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 115.311 C2 C3 N4 177.681
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 109.244 N1 C2 H8 109.244
C2 N1 H5 110.669 C2 N1 H6 110.669
C3 C2 H7 108.049 C3 C2 H8 108.049
H5 N1 H6 106.781 H7 C2 H8 106.591

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