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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

PBEPBEultrafine/cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1816 0.7575 0.0000   0.7410 0.2399 0.0000
C2 0.1816 -0.7575 0.0000   -0.7410 -0.2399 0.0000
O3 -1.2915 1.2020 0.0000   1.6990 -0.4755 0.0000
O4 1.2915 -1.2020 0.0000   -1.6990 0.4755 0.0000
Cl5 1.2915 1.7615 0.0000   0.8298 2.0205 0.0000
Cl6 -1.2915 -1.7615 0.0000   -0.8298 -2.0205 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 Cl5 Cl6
C1 1.5578 1.1957 2.4514 1.7828 2.7527
C2 1.5578 2.4514 1.1957 2.7527 1.7828
O3 1.1957 2.4514 3.5286 2.6430 2.9635
O4 2.4514 1.1957 3.5286 2.9635 2.6430
Cl5 1.7828 2.7527 2.6430 2.9635 4.3685
Cl6 2.7527 1.7828 2.9635 2.6430 4.3685
Maximum atom distance is 4.3685Å 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 125.307 C1 C2 Cl6 110.796
C2 C1 O3 125.307 C2 C1 Cl5 110.796
O3 C1 Cl5 123.897 O4 C2 Cl6 123.897

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