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Geometry for NH2CH2CN (Aminoacetonitrile) 1A' CS

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

BLYP/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.4670 0.7067 0.0000   -1.5684 -0.4380 0.0000
C2 0.0000 0.8382 0.0000   -0.5535 0.6295 0.0000
C3 0.7526 -0.4537 0.0000   0.8648 0.1562 0.0000
N4 1.2639 -1.5242 0.0000   1.9556 -0.3101 0.0000
H5 -1.8523 0.2834 0.8470   -1.5782 -1.0102 0.8470
H6 -1.8523 0.2834 -0.8470   -1.5782 -1.0102 -0.8470
H7 0.3054 1.4243 0.8837   -0.7110 1.2713 0.8837
H8 0.3054 1.4243 -0.8837   -0.7110 1.2713 -0.8837
Atom - Atom Distances (Å)
  N1 C2 C3 N4 H5 H6 H7 H8
N1 1.4729 2.5047 3.5263 1.0223 1.0223 2.1066 2.1066
C2 1.4729 1.4951 2.6792 2.1110 2.1110 1.1035 1.1035
C3 2.5047 1.4951 1.1863 2.8366 2.8366 2.1231 2.1231
N4 3.5263 2.6792 1.1863 3.7007 3.7007 3.2238 3.2238
H5 1.0223 2.1110 2.8366 3.7007 1.6941 2.4410 2.9921
H6 1.0223 2.1110 2.8366 3.7007 1.6941 2.9921 2.4410
H7 2.1066 1.1035 2.1231 3.2238 2.4410 2.9921 1.7674
H8 2.1066 1.1035 2.1231 3.2238 2.9921 2.4410 1.7674
Maximum atom distance is 3.7007Å 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 115.100 C2 C3 N4 175.306
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 108.851 N1 C2 H8 108.851
C2 N1 H5 114.350 C2 N1 H6 114.350
C3 C2 H7 108.637 C3 C2 H8 108.637
H5 N1 H6 111.906 H7 C2 H8 106.420

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