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Geometry for NH2CH2CN (Aminoacetonitrile) 1A' CS

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

M06-2X/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.4485 0.7239 0.0000   -1.5627 -0.4244 0.0000
C2 0.0000 0.8304 0.0000   -0.5529 0.6195 0.0000
C3 0.7222 -0.4638 0.0000   0.8476 0.1348 0.0000
N4 1.2410 -1.4966 0.0000   1.9224 -0.2903 0.0000
H5 -1.7615 0.2077 0.8160   -1.4525 -1.0179 0.8160
H6 -1.7615 0.2077 -0.8160   -1.4525 -1.0179 -0.8160
H7 0.3213 1.3972 0.8779   -0.6906 1.2564 0.8779
H8 0.3213 1.3972 -0.8779   -0.6906 1.2564 -0.8779
Atom - Atom Distances (Å)
  N1 C2 C3 N4 H5 H6 H7 H8
N1 1.4524 2.4743 3.4876 1.0150 1.0150 2.0872 2.0872
C2 1.4524 1.4821 2.6372 2.0387 2.0387 1.0933 1.0933
C3 2.4743 1.4821 1.1558 2.6991 2.6991 2.0964 2.0964
N4 3.4876 2.6372 1.1558 3.5475 3.5475 3.1608 3.1608
H5 1.0150 2.0387 2.6991 3.5475 1.6321 2.3993 2.9364
H6 1.0150 2.0387 2.6991 3.5475 1.6321 2.9364 2.3993
H7 2.0872 1.0933 2.0964 3.1608 2.3993 2.9364 1.7558
H8 2.0872 1.0933 2.0964 3.1608 2.9364 2.3993 1.7558
Maximum atom distance is 3.5475Å 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 114.956 C2 C3 N4 177.507
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 109.337 N1 C2 H8 109.337
C2 N1 H5 110.170 C2 N1 H6 110.170
C3 C2 H7 108.032 C3 C2 H8 108.032
H5 N1 H6 107.017 H7 C2 H8 106.837

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