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Geometry for CH3CF2Cl (1-Chloro-1,1-Difluoroethane) 1A' CS

1910171554
InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3 INChIKey=BHNZEZWIUMJCGF-UHFFFAOYSA-N

CCSD/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3478 -0.0006 0.0000   0.3467 0.0271 0.0000
C2 -0.8103 1.4297 0.0000   0.9170 -1.3638 0.0000
Cl3 1.4302 -0.1271 0.0000   -1.4357 0.0176 0.0000
F4 -0.8103 -0.6509 1.0778   0.7583 0.7108 1.0778
F5 -0.8103 -0.6509 -1.0778   0.7583 0.7108 -1.0778
H6 -1.8988 1.4351 0.0000   2.0027 -1.2861 0.0000
H7 -0.4394 1.9328 0.8883   0.5856 -1.8936 0.8883
H8 -0.4394 1.9328 -0.8883   0.5856 -1.8936 -0.8883
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5032 1.7825 1.3411 1.3411 2.1135 2.1296 2.1296
C2 1.5032 2.7283 2.3432 2.3432 1.0885 1.0861 1.0861
Cl3 1.7825 2.7283 2.5408 2.5408 3.6773 2.9201 2.9201
F4 1.3411 2.3432 2.5408 2.1555 2.5880 2.6170 3.2677
F5 1.3411 2.3432 2.5408 2.1555 2.5880 3.2677 2.6170
H6 2.1135 1.0885 3.6773 2.5880 2.5880 1.7795 1.7795
H7 2.1296 1.0861 2.9201 2.6170 3.2677 1.7795 1.7766
H8 2.1296 1.0861 2.9201 3.2677 2.6170 1.7795 1.7766
Maximum atom distance is 3.6773Å between atoms Cl3 and H6.
picture of 1-Chloro-1,1-Difluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 Cl3 111.991 C2 C1 F4 110.810
C2 C1 F5 110.810 Cl3 C1 F4 108.036
Cl3 C1 F5 108.036 F4 C1 F5 106.963
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.205 C1 C2 H7 109.608
C1 C2 H8 109.608 H6 C2 H7 109.830
H6 C2 H8 109.830 H7 C2 H8 109.739

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