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Geometry for C2ClF3 (Ethene, chlorotrifluoro-) 1A' CS

1910171554
InChI=1S/C2ClF3/c3-1(4)2(5)6 INChIKey=UUAGAQFQZIEFAH-UHFFFAOYSA-N

QCISD(T)/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6815 -0.6695 0.0000   0.9391 0.1757 0.0000
C2 0.0000 0.4746 0.0000   -0.2647 -0.3939 0.0000
F3 -1.9964 -0.7307 0.0000   2.0647 -0.5068 0.0000
F4 -0.1210 -1.8592 0.0000   1.1373 1.4758 0.0000
F5 -0.6473 1.6401 0.0000   -0.3773 -1.7223 0.0000
Cl6 1.7042 0.5717 0.0000   -1.7334 0.4759 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 Cl6
C1 1.3317 1.3163 1.3151 2.3098 2.6893
C2 1.3317 2.3320 2.3369 1.3332 1.7070
F3 1.3163 2.3320 2.1888 2.7277 3.9232
F4 1.3151 2.3369 2.1888 3.5386 3.0399
F5 2.3098 1.3332 2.7277 3.5386 2.5829
Cl6 2.6893 1.7070 3.9232 3.0399 2.5829
Maximum atom distance is 3.9232Å between atoms F3 and Cl6.
picture of Ethene, chlorotrifluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F5 120.170 C1 C2 Cl6 124.042
C2 C1 F3 123.445 C2 C1 F4 123.992
F3 C1 F4 112.563 F5 C2 Cl6 115.788

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