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Geometry for C2H5F (fluoroethane) 1A' CS

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

HF/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5510 0.0000   0.0921 -0.5433 0.0000
C2 1.1056 -0.4682 0.0000   -1.1683 0.2768 0.0000
F3 -1.2111 -0.0777 0.0000   1.1810 0.2791 0.0000
H4 0.0522 1.1802 0.8785   0.1459 -1.1723 0.8785
H5 0.0522 1.1802 -0.8785   0.1459 -1.1723 -0.8785
H6 2.0632 0.0382 0.0000   -2.0277 -0.3827 0.0000
H7 1.0493 -1.0982 0.8785   -1.2182 0.9072 0.8785
H8 1.0493 -1.0982 -0.8785   -1.2182 0.9072 -0.8785
Atom - Atom Distances (Å)
  C1 C2 F3 H4 H5 H6 H7 H8
C1 1.5037 1.3645 1.0818 1.0818 2.1259 2.1431 2.1431
C2 1.5037 2.3493 2.1445 2.1445 1.0833 1.0825 1.0825
F3 1.3645 2.3493 1.9874 1.9874 3.2763 2.6311 2.6311
H4 1.0818 2.1445 1.9874 1.7571 2.4739 2.4870 3.0451
H5 1.0818 2.1445 1.9874 1.7571 2.4739 3.0451 2.4870
H6 2.1259 1.0833 3.2763 2.4739 2.4739 1.7581 1.7581
H7 2.1431 1.0825 2.6311 2.4870 3.0451 1.7581 1.7571
H8 2.1431 1.0825 2.6311 3.0451 2.4870 1.7581 1.7571
Maximum atom distance is 3.2763Å 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 109.890
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.452 C1 C2 H7 110.870
C1 C2 H8 110.870 C2 C1 H4 111.023
C2 C1 H5 111.023 F3 C1 H4 108.105
F3 C1 H5 108.105 H4 C1 H5 108.598
H6 C2 H7 108.542 H6 C2 H8 108.542
H7 C2 H8 108.500

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