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Geometry for ClOOCl (Dichlorine dioxide) 1A C2

1910171554
InChI=1S/Cl2O2/c1-3-4-2 INChIKey=MAYPHUUCLRDEAZ-UHFFFAOYSA-N

CCSD=FULL/aug-cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.3442 0.6037 0.8312   0.8765 0.2025 0.6037
O2 -0.3442 -0.6037 0.8312   0.7631 -0.4764 -0.6037
Cl3 -0.3442 1.6613 -0.3911   -0.4425 -0.2750 1.6613
Cl4 0.3442 -1.6613 -0.3911   -0.3291 0.4039 -1.6613
Atom - Atom Distances (Å)
  O1 O2 Cl3 Cl4
O1 1.3899 1.7568 2.5738
O2 1.3899 2.5738 1.7568
Cl3 1.7568 2.5738 3.3932
Cl4 2.5738 1.7568 3.3932
Maximum atom distance is 3.3932Å between atoms Cl3 and Cl4.
picture of Dichlorine dioxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 O2 Cl4 109.205 O2 O1 Cl3 109.205

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