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Geometry for ClCOClCO (Oxalyl chloride) 1AG C2H

1910171554
InChI=1S/C2Cl2O2/c3-1(5)2(4)6 INChIKey=CTSLXHKWHWQRSH-UHFFFAOYSA-N

M06-2X/6-31+G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1656 0.7600 0.0000   0.7355 0.2531 0.0000
C2 0.1656 -0.7600 0.0000   -0.7355 -0.2531 0.0000
O3 -1.2678 1.1900 0.0000   1.6753 -0.4656 0.0000
O4 1.2678 -1.1900 0.0000   -1.6753 0.4656 0.0000
Cl5 1.2678 1.7552 0.0000   0.8418 1.9949 0.0000
Cl6 -1.2678 -1.7552 0.0000   -0.8418 -1.9949 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 Cl5 Cl6
C1 1.5557 1.1831 2.4202 1.7450 2.7462
C2 1.5557 2.4202 1.1831 2.7462 1.7450
O3 1.1831 2.4202 3.4776 2.5978 2.9453
O4 2.4202 1.1831 3.4776 2.9453 2.5978
Cl5 1.7450 2.7462 2.5978 2.9453 4.3304
Cl6 2.7462 1.7450 2.9453 2.5978 4.3304
Maximum atom distance is 4.3304Å between atoms Cl5 and Cl6.
picture of Oxalyl chloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O4 123.600 C1 C2 Cl6 112.484
C2 C1 O3 123.600 C2 C1 Cl5 112.484
O3 C1 Cl5 123.916 O4 C2 Cl6 123.916

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