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Geometry for C2H2ClF (1-chloro-1-fluoroethylene) 1A' CS

1910171554
1S/C2H2ClF/c1-2(3)4/h1H2 INChIKey=FPBWSPZHCJXUBL-UHFFFAOYSA-N

LSDA/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4540 0.0000   0.4503 -0.0579 0.0000
C2 -1.0287 1.2947 0.0000   1.1531 -1.1853 0.0000
F3 1.2603 0.8470 0.0000   1.0007 1.1420 0.0000
Cl4 -0.1343 -1.2593 0.0000   -1.2661 0.0273 0.0000
H5 -0.8301 2.3754 0.0000   2.2502 -1.1261 0.0000
H6 -2.0575 0.9167 0.0000   0.6470 -2.1576 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 Cl4 H5 H6
C1 1.3285 1.3201 1.7185 2.0931 2.1089
C2 1.3285 2.3323 2.7061 1.0988 1.0961
F3 1.3201 2.3323 2.5261 2.5896 3.3185
Cl4 1.7185 2.7061 2.5261 3.7007 2.9041
H5 2.0931 1.0988 2.5896 3.7007 1.9064
H6 2.1089 1.0961 3.3185 2.9041 1.9064
Maximum atom distance is 3.7007Å between atoms Cl4 and H5.
picture of 1-chloro-1-fluoroethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 F3 123.423 C2 C1 Cl4 124.777
F3 C1 Cl4 111.800
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 118.848 C1 C2 H6 120.567
H5 C2 H6 120.585

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