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Geometry for CHCl2CHO (dichloroacetaldehyde)

1910171554

QCISD(T)/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1026 -0.0215 0.5215   -0.1035 -0.0208 0.5213
C2 -0.7219 -1.2809 0.1987   0.7650 -1.2536 0.2114
H3 0.2297 0.0584 1.6058   -0.2368 0.0635 1.6046
Cl4 1.7371 -0.2683 -0.1699   -1.7263 -0.3295 -0.1727
Cl5 -0.6688 1.4553 -0.0576   0.6184 1.4771 -0.0677
O6 -1.8082 -1.2758 -0.3206   1.8521 -1.2151 -0.3048
H7 -0.2106 -2.2176 0.5053   0.2853 -2.2048 0.5242
Atom - Atom Distances (Å)
  C1 C2 H3 Cl4 Cl5 O6 H7
C1 1.5396 1.0947 1.7918 1.7639 2.4359 2.2184
C2 1.5396 2.1631 2.6848 2.7488 1.2041 1.1103
H3 1.0947 2.1631 2.3520 2.3507 3.1055 2.5661
Cl4 1.7918 2.6848 2.3520 2.9618 3.6888 2.8371
Cl5 1.7639 2.7488 2.3507 2.9618 2.9709 3.7440
O6 2.4359 1.2041 3.1055 3.6888 2.9709 2.0301
H7 2.2184 1.1103 2.5661 2.8371 3.7440 2.0301
Maximum atom distance is 3.7440Å 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 124.756 C2 C1 Cl4 107.156
C2 C1 Cl5 112.449 Cl4 C1 Cl5 112.806
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.681 C2 C1 H3 109.237
H3 C1 Cl4 106.639 H3 C1 Cl5 108.355
O6 C2 H7 122.561

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