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Geometry for CHClCHCl (Ethene, 1,2-dichloro-, (E)-) 1Ag C2H

1910171554
InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+ INChIKey=KFUSEUYYWQURPO-OWOJBTEDSA-N

mPW1PW91/cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6650 0.0000   0.4944 -0.4447 0.0000
C2 0.0000 -0.6650 0.0000   -0.4944 0.4447 0.0000
H3 0.9064 1.2690 0.0000   1.5496 -0.1747 0.0000
H4 -0.9064 -1.2690 0.0000   -1.5496 0.1747 0.0000
Cl5 -1.4736 1.5676 0.0000   0.1802 -2.1439 0.0000
Cl6 1.4736 -1.5676 0.0000   -0.1802 2.1439 0.0000
Atom - Atom Distances (Å)
  C1 C2 H3 H4 Cl5 Cl6
C1 1.3300 1.0892 2.1358 1.7281 2.6751
C2 1.3300 2.1358 1.0892 2.6751 1.7281
H3 1.0892 2.1358 3.1189 2.3986 2.8928
H4 2.1358 1.0892 3.1189 2.8928 2.3986
Cl5 1.7281 2.6751 2.3986 2.8928 4.3030
Cl6 2.6751 1.7281 2.8928 2.3986 4.3030
Maximum atom distance is 4.3030Å between atoms Cl5 and Cl6.
picture of Ethene, 1,2-dichloro-, (E)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl6 121.489 C2 C1 Cl5 121.489
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 123.678 C2 C1 H3 123.678
H3 C1 Cl5 114.833 H4 C2 Cl6 114.833

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