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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

HF/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0265 0.6668 0.1325   0.0310 0.6725 0.0982
C2 1.1683 -0.3262 0.1900   1.1655 -0.3243 0.2094
Cl3 -1.5419 -0.1653 -0.0746   -1.5429 -0.1581 -0.0700
O4 2.2444 -0.0633 -0.2105   2.2444 -0.0899 -0.2013
H5 -0.0219 1.2188 1.0599   -0.0155 1.2717 0.9959
H6 0.1685 1.3470 -0.6897   0.1797 1.3086 -0.7575
H7 0.9420 -1.2922 0.6481   0.9313 -1.2638 0.7160
Atom - Atom Distances (Å)
  C1 C2 Cl3 O4 H5 H6 H7
C1 1.5143 1.7876 2.3601 1.0803 1.0765 2.2230
C2 1.5143 2.7279 1.1780 2.1355 2.1384 1.0928
Cl3 1.7876 2.7279 3.7902 2.3481 2.3646 2.8217
O4 2.3601 1.1780 3.7902 2.8972 2.5550 1.9859
H5 1.0803 2.1355 2.3481 2.8972 1.7646 2.7209
H6 1.0765 2.1384 2.3646 2.5550 1.7646 3.0583
H7 2.2230 1.0928 2.8217 1.9859 2.7209 3.0583
Maximum atom distance is 3.7902Å 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 121.977 C2 C1 Cl3 111.143
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 116.067 C2 C1 H5 109.650
C2 C1 H6 110.111 Cl3 C1 H5 107.337
Cl3 C1 H6 108.746 O4 C2 H7 121.938
H5 C1 H6 109.802

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