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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

B3LYPultrafine/aug-cc-pVTZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1769 0.7584 0.0000   0.7407 0.2407 0.0000
C2 0.1769 -0.7584 0.0000   -0.7407 -0.2407 0.0000
O3 -1.2740 1.1900 0.0000   1.6773 -0.4753 0.0000
O4 1.2740 -1.1900 0.0000   -1.6773 0.4753 0.0000
Cl5 1.2740 1.7673 0.0000   0.8541 2.0042 0.0000
Cl6 -1.2740 -1.7673 0.0000   -0.8541 -2.0042 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 Cl5 Cl6
C1 1.5576 1.1789 2.4293 1.7672 2.7537
C2 1.5576 2.4293 1.1789 2.7537 1.7672
O3 1.1789 2.4293 3.4867 2.6126 2.9573
O4 2.4293 1.1789 3.4867 2.9573 2.6126
Cl5 1.7672 2.7537 2.6126 2.9573 4.3573
Cl6 2.7537 1.7672 2.9573 2.6126 4.3573
Maximum atom distance is 4.3573Å 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 124.608 C1 C2 Cl6 111.680
C2 C1 O3 124.608 C2 C1 Cl5 111.680
O3 C1 Cl5 123.712 O4 C2 Cl6 123.712

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