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Geometry for CH2ClCHO (chloroacetaldehyde) 1A C1 bisecting, trans

1910171554
InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2 INChIKey=QSKPIOLLBIHNAC-UHFFFAOYSA-N

MP2/CEP-121G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0449 0.7369 0.1385   0.0494 0.7456 0.0768
C2 1.1891 -0.2785 0.3006   1.1861 -0.2601 0.3275
Cl3 -1.5867 -0.1920 -0.0919   -1.5877 -0.1888 -0.0819
O4 2.3044 -0.1317 -0.2932   2.3044 -0.1704 -0.2721
H5 -0.0762 1.3444 1.0463   -0.0707 1.4274 0.9303
H6 0.2067 1.3592 -0.7487   0.2184 1.2907 -0.8585
H7 1.0052 -1.1360 0.9753   0.9941 -1.0573 1.0705
Atom - Atom Distances (Å)
  C1 C2 Cl3 O4 H5 H6 H7
C1 1.5383 1.8916 2.4589 1.0990 1.0957 2.2650
C2 1.5383 2.8048 1.2720 2.1888 2.1790 1.1065
Cl3 1.8916 2.8048 3.8968 2.4368 2.4605 2.9577
O4 2.4589 1.2720 3.8968 3.1049 2.6135 2.0750
H5 1.0990 2.1888 2.4368 3.1049 1.8171 2.7069
H6 1.0957 2.1790 2.4605 2.6135 1.8171 3.1362
H7 2.2650 1.1065 2.9577 2.0750 2.7069 3.1362
Maximum atom distance is 3.8968Å between atoms Cl3 and O4.
picture of chloroacetaldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O4 121.785 C2 C1 Cl3 109.284
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 116.882 C2 C1 H5 111.089
C2 C1 H6 110.511 Cl3 C1 H5 106.085
Cl3 C1 H6 107.916 O4 C2 H7 121.323
H5 C1 H6 111.783

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