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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

CID/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0232 0.6463 0.1004   -0.0186 0.6516 0.0578
C2 1.1568 -0.3570 0.1246   -1.1596 -0.3397 0.1450
Cl3 -1.5544 -0.1531 -0.0546   1.5533 -0.1676 -0.0408
O4 2.2825 -0.0368 -0.1428   -2.2824 -0.0295 -0.1455
H5 0.0273 1.2132 1.0289   -0.0203 1.2783 0.9470
H6 0.1630 1.3300 -0.7304   -0.1518 1.2803 -0.8164
H7 0.8944 -1.3824 0.4221   -0.9054 -1.3452 0.5097
Atom - Atom Distances (Å)
  C1 C2 Cl3 O4 H5 H6 H7
C1 1.5140 1.7754 2.3728 1.0878 1.0850 2.2312
C2 1.5140 2.7247 1.2006 2.1351 2.1365 1.0994
Cl3 1.7754 2.7247 3.8397 2.3542 2.3676 2.7812
O4 2.3728 1.2006 3.8397 2.8322 2.5895 2.0141
H5 1.0878 2.1351 2.3542 2.8322 1.7683 2.8031
H6 1.0850 2.1365 2.3676 2.5895 1.7683 3.0365
H7 2.2312 1.0994 2.7812 2.0141 2.8031 3.0365
Maximum atom distance is 3.8397Å 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 121.449 C2 C1 Cl3 111.613
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 116.343 C2 C1 H5 109.203
C2 C1 H6 109.474 Cl3 C1 H5 108.211
Cl3 C1 H6 109.348 O4 C2 H7 122.193
H5 C1 H6 108.944

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