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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/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5252 0.5748 0.0000   -1.5605 0.4704 0.0000
C2 0.0000 0.8254 0.0000   -0.5016 -0.6555 0.0000
C3 -0.7772 -0.4490 0.0000   0.8901 -0.1158 0.0000
N4 -1.3721 -1.4382 0.0000   1.9637 0.3082 0.0000
H5 2.0493 1.5259 0.0000   -2.5548 0.0336 0.0000
H6 1.8202 0.0149 0.8821   -1.4546 1.0944 0.8821
H7 1.8202 0.0149 -0.8821   -1.4546 1.0944 -0.8821
H8 -0.2862 1.4021 0.8804   -0.6248 -1.2874 0.8804
H9 -0.2862 1.4021 -0.8804   -0.6248 -1.2874 -0.8804
Atom - Atom Distances (Å)
  C1 C2 C3 N4 H5 H6 H7 H8 H9
C1 1.5456 2.5198 3.5280 1.0859 1.0857 1.0857 2.1773 2.1773
C2 1.5456 1.4927 2.6470 2.1657 2.1791 2.1791 1.0907 1.0907
C3 2.5198 1.4927 1.1543 3.4481 2.7821 2.7821 2.1078 2.1078
N4 3.5280 2.6470 1.1543 4.5268 3.6167 3.6167 3.1657 3.1657
H5 1.0859 2.1657 3.4481 4.5268 1.7646 1.7646 2.4990 2.4990
H6 1.0857 2.1791 2.7821 3.6167 1.7646 1.7643 2.5222 3.0770
H7 1.0857 2.1791 2.7821 3.6167 1.7646 1.7643 3.0770 2.5222
H8 2.1773 1.0907 2.1078 3.1657 2.4990 2.5222 3.0770 1.7609
H9 2.1773 1.0907 2.1078 3.1657 2.4990 3.0770 2.5222 1.7609
Maximum atom distance is 4.5268Å 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 112.049 C2 C3 N4 179.644
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.158 C1 C2 H9 110.158
C2 C1 H5 109.528 C2 C1 H6 110.598
C2 C1 H7 110.598 C3 C2 H8 108.349
C3 C2 H9 108.349 H5 C1 H6 108.696
H5 C1 H7 108.696 H6 C1 H7 108.678
H8 C2 H9 107.650

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