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Geometry for C2H5F (fluoroethane) 1A' CS

1910171554
InChI=1S/C2H5F/c1-2-3/h2H2,1H3 INChIKey=UHCBBWUQDAVSMS-UHFFFAOYSA-N

QCISD/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5541 0.0000   0.0862 -0.5474 0.0000
C2 1.1112 -0.4711 0.0000   -1.1710 0.2926 0.0000
F3 -1.2211 -0.0782 0.0000   1.1941 0.2672 0.0000
H4 0.0704 1.1939 0.8865   0.1161 -1.1903 0.8865
H5 0.0704 1.1939 -0.8865   0.1161 -1.1903 -0.8865
H6 2.0812 0.0323 0.0000   -2.0509 -0.3556 0.0000
H7 1.0503 -1.1070 0.8858   -1.2097 0.9302 0.8858
H8 1.0503 -1.1070 -0.8858   -1.2097 0.9302 -0.8858
Atom - Atom Distances (Å)
  C1 C2 F3 H4 H5 H6 H7 H8
C1 1.5119 1.3751 1.0955 1.0955 2.1456 2.1558 2.1558
C2 1.5119 2.3652 2.1544 2.1544 1.0929 1.0921 1.0921
F3 1.3751 2.3652 2.0179 2.0179 3.3042 2.6462 2.6462
H4 1.0955 2.1544 2.0179 1.7729 2.4856 2.5009 3.0652
H5 1.0955 2.1544 2.0179 1.7729 2.4856 3.0652 2.5009
H6 2.1456 1.0929 3.3042 2.4856 2.4856 1.7735 1.7735
H7 2.1558 1.0921 2.6462 2.5009 3.0652 1.7735 1.7716
H8 2.1558 1.0921 2.6462 3.0652 2.5009 1.7735 1.7716
Maximum atom distance is 3.3042Å between atoms F3 and H6.
picture of fluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 F3 109.927
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.875 C1 C2 H7 110.725
C1 C2 H8 110.725 C2 C1 H4 110.413
C2 C1 H5 110.413 F3 C1 H4 109.003
F3 C1 H5 109.003 H4 C1 H5 108.036
H6 C2 H7 108.524 H6 C2 H8 108.524
H7 C2 H8 108.401

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