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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

CISD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5093 0.5669 0.0000   1.5401 -0.4772 0.0000
C2 0.0000 0.8160 0.0000   0.5002 0.6447 0.0000
C3 -0.7675 -0.4367 0.0000   -0.8741 0.1254 0.0000
N4 -1.3597 -1.4270 0.0000   -1.9491 -0.2941 0.0000
H5 2.0399 1.5179 0.0000   2.5422 -0.0511 0.0000
H6 1.8098 0.0050 0.8823   1.4330 -1.1054 0.8823
H7 1.8098 0.0050 -0.8823   1.4330 -1.1054 -0.8823
H8 -0.2962 1.3920 0.8766   0.6192 1.2814 0.8766
H9 -0.2962 1.3920 -0.8766   0.6192 1.2814 -0.8766
Atom - Atom Distances (Å)
  C1 C2 C3 N4 H5 H6 H7 H8 H9
C1 1.5298 2.4883 3.4939 1.0890 1.0884 1.0884 2.1701 2.1701
C2 1.5298 1.4692 2.6230 2.1573 2.1706 2.1706 1.0900 1.0900
C3 2.4883 1.4692 1.1539 3.4209 2.7598 2.7598 2.0821 2.0821
N4 3.4939 2.6230 1.1539 4.4978 3.5882 3.5882 3.1379 3.1379
H5 1.0890 2.1573 3.4209 4.4978 1.7665 1.7665 2.4983 2.4983
H6 1.0884 2.1706 2.7598 3.5882 1.7665 1.7646 2.5218 3.0746
H7 1.0884 2.1706 2.7598 3.5882 1.7665 1.7646 3.0746 2.5218
H8 2.1701 1.0900 2.0821 3.1379 2.4983 2.5218 3.0746 1.7533
H9 2.1701 1.0900 2.0821 3.1379 2.4983 3.0746 2.5218 1.7533
Maximum atom distance is 4.4978Å 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 112.124 C2 C3 N4 179.384
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.743 C1 C2 H9 110.743
C2 C1 H5 109.787 C2 C1 H6 110.883
C2 C1 H7 110.883 C3 C2 H8 107.977
C3 C2 H9 107.977 H5 C1 H6 108.447
H5 C1 H7 108.447 H6 C1 H7 108.320
H8 C2 H9 107.084

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