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Geometry for CHFCHCl ((E)-1-chloro-2-fluoroethene) 1A' CS

1910171554
InChI=1S/C2H2ClF/c3-1-2-4/h1-2H/b2-1+ INChIKey=MTKHTBWXSHYCGS-OWOJBTEDSA-N

PBEPBE/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4802 0.0000   0.0060 0.4802 0.0000
C2 1.0264 -0.3812 0.0000   1.0215 -0.3940 0.0000
Cl3 -1.6468 -0.0840 0.0000   -1.6478 -0.0633 0.0000
F4 2.3063 0.0822 0.0000   2.3071 0.0532 0.0000
H5 0.1237 1.5693 0.0000   0.1434 1.5676 0.0000
H6 0.9575 -1.4760 0.0000   0.9389 -1.4879 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6
C1 1.3399 1.7408 2.3404 1.0961 2.1779
C2 1.3399 2.6897 1.3612 2.1492 1.0970
Cl3 1.7408 2.6897 3.9566 2.4224 2.9530
F4 2.3404 1.3612 3.9566 2.6410 2.0609
H5 1.0961 2.1492 2.4224 2.6410 3.1573
H6 2.1779 1.0970 2.9530 2.0609 3.1573
Maximum atom distance is 3.9566Å between atoms Cl3 and F4.
picture of (E)-1-chloro-2-fluoroethene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 120.095 C2 C1 Cl3 121.086
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 126.401 C2 C1 H5 123.522
Cl3 C1 H5 115.392 F4 C2 H6 113.505

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