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Geometry for CH2FCH2Cl (Ethane, 1-chloro-2-fluoro-) 1A' CS

1910171554
InChI=1S/C2H4ClF/c3-1-2-4/h1-2H2 INChIKey=VEZJSKSPVQQGIS-UHFFFAOYSA-N

B3LYP/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6359 0.0000   0.0191 0.6356 0.0000
C2 1.0308 -0.4966 0.0000   1.0154 -0.5274 0.0000
Cl3 -1.7284 -0.1380 0.0000   -1.7317 -0.0859 0.0000
F4 2.3485 0.1375 0.0000   2.3516 0.0668 0.0000
H5 0.0615 1.2495 0.8993   0.0991 1.2470 0.8993
H6 0.0615 1.2495 -0.8993   0.0991 1.2470 -0.8993
H7 0.9687 -1.1133 0.9013   0.9347 -1.1419 0.9013
H8 0.9687 -1.1133 -0.9013   0.9347 -1.1419 -0.9013
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5314 1.8937 2.4008 1.0904 1.0904 2.1932 2.1932
C2 1.5314 2.7824 1.4624 2.1902 2.1902 1.0938 1.0938
Cl3 1.8937 2.7824 4.0862 2.4367 2.4367 3.0063 3.0063
F4 2.4008 1.4624 4.0862 2.6973 2.6973 2.0690 2.0690
H5 1.0904 2.1902 2.4367 2.6973 1.7986 2.5309 3.1060
H6 1.0904 2.1902 2.4367 2.6973 1.7986 3.1060 2.5309
H7 2.1932 1.0938 3.0063 2.0690 2.5309 3.1060 1.8025
H8 2.1932 1.0938 3.0063 2.0690 3.1060 2.5309 1.8025
Maximum atom distance is 4.0862Å between atoms Cl3 and F4.
picture of Ethane, 1-chloro-2-fluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 106.608 C2 C1 Cl3 108.187
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.253 C1 C2 H8 112.253
C2 C1 H5 112.219 C2 C1 H6 112.219
Cl3 C1 H5 106.347 Cl3 C1 H6 106.347
F4 C2 H7 107.197 F4 C2 H8 107.197
H5 C1 H6 111.124 H7 C2 H8 110.971

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