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Geometry for NH2CH2CN (Aminoacetonitrile) 1A' CS

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

CCD/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.4537 0.7355 0.0000   -1.5740 -0.4207 0.0000
C2 0.0000 0.8298 0.0000   -0.5531 0.6186 0.0000
C3 0.7197 -0.4719 0.0000   0.8511 0.1279 0.0000
N4 1.2548 -1.5073 0.0000   1.9401 -0.2873 0.0000
H5 -1.7833 0.2364 0.8172   -1.4870 -1.0124 0.8172
H6 -1.7833 0.2364 -0.8172   -1.4870 -1.0124 -0.8172
H7 0.3204 1.3914 0.8771   -0.6885 1.2508 0.8771
H8 0.3204 1.3914 -0.8771   -0.6885 1.2508 -0.8771
Atom - Atom Distances (Å)
  N1 C2 C3 N4 H5 H6 H7 H8
N1 1.4568 2.4863 3.5166 1.0126 1.0126 2.0850 2.0850
C2 1.4568 1.4875 2.6527 2.0494 2.0494 1.0897 1.0897
C3 2.4863 1.4875 1.1655 2.7267 2.7267 2.0978 2.0978
N4 3.5166 2.6527 1.1655 3.5971 3.5971 3.1694 3.1694
H5 1.0126 2.0494 2.7267 3.5971 1.6343 2.4007 2.9378
H6 1.0126 2.0494 2.7267 3.5971 1.6343 2.9378 2.4007
H7 2.0850 1.0897 2.0978 3.1694 2.4007 2.9378 1.7543
H8 2.0850 1.0897 2.0978 3.1694 2.9378 2.4007 1.7543
Maximum atom distance is 3.5971Å 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 115.222 C2 C3 N4 178.396
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 109.077 N1 C2 H8 109.077
C2 N1 H5 110.899 C2 N1 H6 110.899
C3 C2 H7 107.981 C3 C2 H8 107.981
H5 N1 H6 107.600 H7 C2 H8 107.213

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