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Geometry for C2H5CN (ethyl cyanide) 1A' Cs

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

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Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5093 0.5613 0.0000   1.5390 -0.4740 0.0000
C2 0.0000 0.8095 0.0000   0.4930 0.6421 0.0000
C3 -0.7682 -0.4327 0.0000   -0.8729 0.1246 0.0000
N4 -1.3590 -1.4159 0.0000   -1.9402 -0.2953 0.0000
H5 2.0390 1.5127 0.0000   2.5385 -0.0421 0.0000
H6 1.8101 -0.0012 0.8822   1.4350 -1.1034 0.8822
H7 1.8101 -0.0012 -0.8822   1.4350 -1.1034 -0.8822
H8 -0.2963 1.3864 0.8771   0.6093 1.2801 0.8771
H9 -0.2963 1.3864 -0.8771   0.6093 1.2801 -0.8771
Atom - Atom Distances (Å)
  C1 C2 C3 N4 H5 H6 H7 H8 H9
C1 1.5296 2.4850 3.4838 1.0889 1.0886 1.0886 2.1703 2.1703
C2 1.5296 1.4606 2.6076 2.1569 2.1707 2.1707 1.0908 1.0908
C3 2.4850 1.4606 1.1470 3.4155 2.7591 2.7591 2.0739 2.0739
N4 3.4838 2.6076 1.1470 4.4859 3.5810 3.5810 3.1227 3.1227
H5 1.0889 2.1569 3.4155 4.4859 1.7670 1.7670 2.4978 2.4978
H6 1.0886 2.1707 2.7591 3.5810 1.7670 1.7643 2.5224 3.0753
H7 1.0886 2.1707 2.7591 3.5810 1.7670 1.7643 3.0753 2.5224
H8 2.1703 1.0908 2.0739 3.1227 2.4978 2.5224 3.0753 1.7541
H9 2.1703 1.0908 2.0739 3.1227 2.4978 3.0753 2.5224 1.7541
Maximum atom distance is 4.4859Å 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 112.394 C2 C3 N4 179.269
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.724 C1 C2 H9 110.724
C2 C1 H5 109.771 C2 C1 H6 110.887
C2 C1 H7 110.887 C3 C2 H8 107.872
C3 C2 H9 107.872 H5 C1 H6 108.482
H5 C1 H7 108.482 H6 C1 H7 108.258
H8 C2 H9 107.043

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