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Geometry for CF3CHO (trifluoroacetaldehyde) 1A' CS

1910171554
InChI=1S/C2HF3O/c3-2(4,5)1-6/h1H INChIKey=JVTSHOJDBRTPHD-UHFFFAOYSA-N

HF/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0172 0.3595 0.0000   0.3563 0.0510 0.0000
C2 0.4922 -1.0956 0.0000   -1.1372 0.3866 0.0000
O3 -0.2497 -2.0016 0.0000   -1.9691 -0.4375 0.0000
F4 -1.2774 0.4608 0.0000   0.5793 -1.2282 0.0000
F5 0.4922 0.9712 1.0625   0.9204 0.5817 1.0625
F6 0.4922 0.9712 -1.0625   0.9204 0.5817 -1.0625
H7 1.5783 -1.1990 0.0000   -1.3425 1.4581 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 F4 F5 F6 H7
C1 1.5307 2.3761 1.2985 1.3148 1.3148 2.2059
C2 1.5307 1.1710 2.3567 2.3239 2.3239 1.0910
O3 2.3761 1.1710 2.6682 3.2429 3.2429 1.9964
F4 1.2985 2.3567 2.6682 2.1262 2.1262 3.3030
F5 1.3148 2.3239 3.2429 2.1262 2.1249 2.6491
F6 1.3148 2.3239 3.2429 2.1262 2.1249 2.6491
H7 2.2059 1.0910 1.9964 3.3030 2.6491 2.6491
Maximum atom distance is 3.3030Å between atoms F4 and H7.
picture of trifluoroacetaldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 122.604 C2 C1 F4 112.553
C2 C1 F5 109.275 C2 C1 F6 109.275
F4 C1 F5 108.902 F4 C1 F6 108.902
F5 C1 F6 107.820
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 113.516 O3 C2 H7 123.881

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