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Geometry for CHCl2CHO (dichloroacetaldehyde)

1910171554

QCISD(T)/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1001 -0.0209 0.5260   -0.0951 0.0207 -0.5270
C2 -0.7036 -1.2838 0.2014   0.7014 1.2860 -0.1944
H3 0.2314 0.0666 1.6027   -0.2156 -0.0671 -1.6049
Cl4 1.7329 -0.2533 -0.1706   -1.7352 0.2478 0.1538
Cl5 -0.6821 1.4458 -0.0584   0.6861 -1.4437 0.0648
O6 -1.7869 -1.2879 -0.3219   1.7796 1.2935 0.3394
H7 -0.1788 -2.2077 0.5012   0.1767 2.2084 -0.4992
Atom - Atom Distances (Å)
  C1 C2 H3 Cl4 Cl5 O6 H7
C1 1.5317 1.0882 1.7903 1.7620 2.4259 2.2046
C2 1.5317 2.1590 2.6714 2.7420 1.2031 1.1041
H3 1.0882 2.1590 2.3455 2.3443 3.1004 2.5601
Cl4 1.7903 2.6714 2.3455 2.9550 3.6718 2.8152
Cl5 1.7620 2.7420 2.3443 2.9550 2.9603 3.7303
O6 2.4259 1.2031 3.1004 3.6718 2.9603 2.0272
H7 2.2046 1.1041 2.5601 2.8152 3.7303 2.0272
Maximum atom distance is 3.7303Å between atoms Cl5 and H7.
picture of dichloroacetaldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O6 124.575 C2 C1 Cl4 106.801
C2 C1 Cl5 112.524 Cl4 C1 Cl5 112.573
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.518 C2 C1 H3 109.838
H3 C1 Cl4 106.586 H3 C1 Cl5 108.343
O6 C2 H7 122.907

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