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Geometry for NH2CH2CN (Aminoacetonitrile) 1A' CS

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

MP4/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.4606 0.7301 0.0000   -1.5748 -0.4314 0.0000
C2 0.0000 0.8399 0.0000   -0.5607 0.6253 0.0000
C3 0.7264 -0.4585 0.0000   0.8469 0.1435 0.0000
N4 1.2520 -1.5167 0.0000   1.9447 -0.2935 0.0000
H5 -1.7621 0.1966 0.8174   -1.4432 -1.0299 0.8174
H6 -1.7621 0.1966 -0.8174   -1.4432 -1.0299 -0.8174
H7 0.3127 1.4126 0.8822   -0.7101 1.2606 0.8822
H8 0.3127 1.4126 -0.8822   -0.7101 1.2606 -0.8822
Atom - Atom Distances (Å)
  N1 C2 C3 N4 H5 H6 H7 H8
N1 1.4647 2.4891 3.5223 1.0215 1.0215 2.0950 2.0950
C2 1.4647 1.4877 2.6686 2.0462 2.0462 1.0974 1.0974
C3 2.4891 1.4877 1.1816 2.6999 2.6999 2.1096 2.1096
N4 3.5223 2.6686 1.1816 3.5621 3.5621 3.2003 3.2003
H5 1.0215 2.0462 2.6999 3.5621 1.6347 2.4058 2.9449
H6 1.0215 2.0462 2.6999 3.5621 1.6347 2.9449 2.4058
H7 2.0950 1.0974 2.1096 3.2003 2.4058 2.9449 1.7645
H8 2.0950 1.0974 2.1096 3.2003 2.9449 2.4058 1.7645
Maximum atom distance is 3.5621Å 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 114.925 C2 C3 N4 177.189
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 108.865 N1 C2 H8 108.865
C2 N1 H5 109.479 C2 N1 H6 109.479
C3 C2 H7 108.442 C3 C2 H8 108.442
H5 N1 H6 106.284 H7 C2 H8 107.021

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