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Geometry for CHCl2CHO (dichloroacetaldehyde)

1910171554

CCD/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0978 -0.0220 0.5225   0.0969 -0.0137 0.5230
C2 -0.6945 -1.2887 0.2057   -0.6485 -1.3109 0.2156
H3 0.2210 0.0611 1.5989   0.2136 0.0836 1.5989
Cl4 1.7358 -0.2402 -0.1703   1.7438 -0.1794 -0.1632
Cl5 -0.6978 1.4448 -0.0572   -0.7489 1.4183 -0.0725
O6 -1.7636 -1.3086 -0.3288   -1.7146 -1.3739 -0.3216
H7 -0.1780 -2.2058 0.5301   -0.1006 -2.2058 0.5499
Atom - Atom Distances (Å)
  C1 C2 H3 Cl4 Cl5 O6 H7
C1 1.5273 1.0866 1.7919 1.7665 2.4176 2.2011
C2 1.5273 2.1450 2.6734 2.7461 1.1955 1.1014
H3 1.0866 2.1450 2.3486 2.3455 3.0872 2.5378
Cl4 1.7919 2.6734 2.3486 2.9621 3.6623 2.8314
Cl5 1.7665 2.7461 2.3455 2.9621 2.9649 3.7339
O6 2.4176 1.1955 3.0872 3.6623 2.9649 2.0142
H7 2.2011 1.1014 2.5378 2.8314 3.7339 2.0142
Maximum atom distance is 3.7339Å 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 124.780 C2 C1 Cl4 107.039
C2 C1 Cl5 112.768 Cl4 C1 Cl5 112.700
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.721 C2 C1 H3 109.132
H3 C1 Cl4 106.780 H3 C1 Cl5 108.217
O6 C2 H7 122.497

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