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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

B1B95/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 0.4777 0.0000   0.0076 0.4776 0.0000
C2 1.0180 -0.3706 0.0000   1.0120 -0.3867 0.0000
Cl3 -1.6295 -0.0894 0.0000   -1.6307 -0.0635 0.0000
F4 2.2806 0.0861 0.0000   2.2817 0.0500 0.0000
H5 0.1220 1.5563 0.0000   0.1467 1.5542 0.0000
H6 0.9458 -1.4544 0.0000   0.9226 -1.4692 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6
C1 1.3251 1.7253 2.3140 1.0855 2.1512
C2 1.3251 2.6624 1.3427 2.1250 1.0862
Cl3 1.7253 2.6624 3.9140 2.4034 2.9147
F4 2.3140 1.3427 3.9140 2.6117 2.0384
H5 1.0855 2.1250 2.4034 2.6117 3.1214
H6 2.1512 1.0862 2.9147 2.0384 3.1214
Maximum atom distance is 3.9140Å 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 120.308 C2 C1 Cl3 121.007
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 125.994 C2 C1 H5 123.349
Cl3 C1 H5 115.644 F4 C2 H6 113.698

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