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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

CBS-Q


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3451 0.0024 0.0000   -0.3437 -0.0312 0.0000
C2 -0.8076 1.4358 0.0000   -0.9435 1.3504 0.0000
Cl3 1.4256 -0.1448 0.0000   1.4329 -0.0054 0.0000
F4 -0.8076 -0.6383 1.0652   -0.7416 -0.7139 1.0652
F5 -0.8076 -0.6383 -1.0652   -0.7416 -0.7139 -1.0652
H6 -1.8939 1.4368 0.0000   -2.0247 1.2456 0.0000
H7 -0.4446 1.9428 0.8864   -0.6316 1.8903 0.8864
H8 -0.4446 1.9428 -0.8864   -0.6316 1.8903 -0.8864
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5062 1.7768 1.3263 1.3263 2.1109 2.1356 2.1356
C2 1.5062 2.7360 2.3317 2.3317 1.0863 1.0837 1.0837
Cl3 1.7768 2.7360 2.5229 2.5229 3.6770 2.9396 2.9396
F4 1.3263 2.3317 2.5229 2.1304 2.5730 2.6126 3.2561
F5 1.3263 2.3317 2.5229 2.1304 2.5730 3.2561 2.6126
H6 2.1109 1.0863 3.6770 2.5730 2.5730 1.7726 1.7726
H7 2.1356 1.0837 2.9396 2.6126 3.2561 1.7726 1.7727
H8 2.1356 1.0837 2.9396 3.2561 2.6126 1.7726 1.7727
Maximum atom distance is 3.6770Å 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 112.633 C2 C1 F4 110.651
C2 C1 F5 110.651 Cl3 C1 F4 107.906
Cl3 C1 F5 107.906 F4 C1 F5 106.865
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.928 C1 C2 H7 110.020
C1 C2 H8 110.020 H6 C2 H7 109.545
H6 C2 H8 109.545 H7 C2 H8 109.756

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