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Geometry for NH2CH2CN (Aminoacetonitrile) 1A' CS

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

QCISD/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.4545 0.7289 0.0000   1.5704 0.4252 0.0000
C2 0.0000 0.8289 0.0000   0.5522 -0.6182 0.0000
C3 0.7201 -0.4679 0.0000   -0.8488 -0.1307 0.0000
N4 1.2512 -1.4969 0.0000   -1.9303 0.2830 0.0000
H5 -1.7699 0.2143 0.8138   1.4628 1.0192 0.8138
H6 -1.7699 0.2143 -0.8138   1.4628 1.0192 -0.8138
H7 0.3211 1.3908 0.8776   0.6870 -1.2512 0.8776
H8 0.3211 1.3908 -0.8776   0.6870 -1.2512 -0.8776
Atom - Atom Distances (Å)
  N1 C2 C3 N4 H5 H6 H7 H8
N1 1.4579 2.4822 3.5036 1.0132 1.0132 2.0883 2.0883
C2 1.4579 1.4833 2.6410 2.0427 2.0427 1.0904 1.0904
C3 2.4822 1.4833 1.1580 2.7070 2.7070 2.0939 2.0939
N4 3.5036 2.6410 1.1580 3.5662 3.5662 3.1582 3.1582
H5 1.0132 2.0427 2.7070 3.5662 1.6277 2.4001 2.9355
H6 1.0132 2.0427 2.7070 3.5662 1.6277 2.9355 2.4001
H7 2.0883 1.0904 2.0939 3.1582 2.4001 2.9355 1.7552
H8 2.0883 1.0904 2.0939 3.1582 2.9355 2.4001 1.7552
Maximum atom distance is 3.5662Å 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 115.110 C2 C3 N4 178.257
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 109.215 N1 C2 H8 109.215
C2 N1 H5 110.206 C2 N1 H6 110.206
C3 C2 H7 107.914 C3 C2 H8 107.914
H5 N1 H6 106.877 H7 C2 H8 107.183

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