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Geometry for NH2CH2CN (Aminoacetonitrile) 1A' CS

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

B2PLYP/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.4540 0.7248 0.0000   -1.5675 -0.4272 0.0000
C2 0.0000 0.8327 0.0000   -0.5544 0.6213 0.0000
C3 0.7256 -0.4583 0.0000   0.8465 0.1411 0.0000
N4 1.2457 -1.5046 0.0000   1.9312 -0.2933 0.0000
H5 -1.7630 0.2040 0.8139   -1.4513 -1.0215 0.8139
H6 -1.7630 0.2040 -0.8139   -1.4513 -1.0215 -0.8139
H7 0.3154 1.4021 0.8764   -0.6982 1.2562 0.8764
H8 0.3154 1.4021 -0.8764   -0.6982 1.2562 -0.8764
Atom - Atom Distances (Å)
  N1 C2 C3 N4 H5 H6 H7 H8
N1 1.4580 2.4800 3.5013 1.0144 1.0144 2.0875 2.0875
C2 1.4580 1.4809 2.6485 2.0410 2.0410 1.0917 1.0917
C3 2.4800 1.4809 1.1684 2.7008 2.7008 2.0971 2.0971
N4 3.5013 2.6485 1.1684 3.5544 3.5544 3.1753 3.1753
H5 1.0144 2.0410 2.7008 3.5544 1.6277 2.3998 2.9346
H6 1.0144 2.0410 2.7008 3.5544 1.6277 2.9346 2.3998
H7 2.0875 1.0917 2.0971 3.1753 2.3998 2.9346 1.7528
H8 2.0875 1.0917 2.0971 3.1753 2.9346 2.3998 1.7528
Maximum atom distance is 3.5544Å 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 115.097 C2 C3 N4 177.095
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 109.066 N1 C2 H8 109.066
C2 N1 H5 109.980 C2 N1 H6 109.980
C3 C2 H7 108.253 C3 C2 H8 108.253
H5 N1 H6 106.698 H7 C2 H8 106.791

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