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Geometry for C2H5CN (ethyl cyanide) 1A' Cs

1910171554
InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3 INChIKey=FVSKHRXBFJPNKK-UHFFFAOYSA-N

HF/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5240 0.5702 0.0000   -1.5530 0.4856 0.0000
C2 0.0000 0.8207 0.0000   -0.5039 -0.6478 0.0000
C3 -0.7757 -0.4426 0.0000   0.8840 -0.1269 0.0000
N4 -1.3729 -1.4317 0.0000   1.9627 0.2871 0.0000
H5 2.0479 1.5207 0.0000   -2.5501 0.0571 0.0000
H6 1.8267 0.0119 0.8793   -1.4491 1.1122 0.8793
H7 1.8267 0.0119 -0.8793   -1.4491 1.1122 -0.8793
H8 -0.2905 1.3939 0.8737   -0.6266 -1.2785 0.8737
H9 -0.2905 1.3939 -0.8737   -0.6266 -1.2785 -0.8737
Atom - Atom Distances (Å)
  C1 C2 C3 N4 H5 H6 H7 H8 H9
C1 1.5444 2.5128 3.5213 1.0853 1.0847 1.0847 2.1758 2.1758
C2 1.5444 1.4824 2.6378 2.1642 2.1826 2.1826 1.0846 1.0846
C3 2.5128 1.4824 1.1554 3.4391 2.7842 2.7842 2.0908 2.0908
N4 3.5213 2.6378 1.1554 4.5187 3.6186 3.6186 3.1494 3.1494
H5 1.0853 2.1642 3.4391 4.5187 1.7603 1.7603 2.4995 2.4995
H6 1.0847 2.1826 2.7842 3.6186 1.7603 1.7585 2.5283 3.0765
H7 1.0847 2.1826 2.7842 3.6186 1.7603 1.7585 3.0765 2.5283
H8 2.1758 1.0846 2.0908 3.1494 2.4995 2.5283 3.0765 1.7475
H9 2.1758 1.0846 2.0908 3.1494 2.4995 3.0765 2.5283 1.7475
Maximum atom distance is 4.5187Å between atoms N4 and H5.
picture of ethyl cyanide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 112.218 C2 C3 N4 179.574
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.486 C1 C2 H9 110.486
C2 C1 H5 109.533 C2 C1 H6 111.029
C2 C1 H7 111.029 C3 C2 H8 108.073
C3 C2 H9 108.073 H5 C1 H6 108.427
H5 C1 H7 108.427 H6 C1 H7 108.316
H8 C2 H9 107.336

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