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Geometry for CHClCHCl (Ethene, 1,2-dichloro-, (Z)-) 1A1 C2V

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

CCSD/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6656 0.9799   0.6656 0.9799 0.0000
C2 0.0000 -0.6656 0.9799   -0.6656 0.9799 0.0000
H3 0.0000 1.2049 1.9058   1.2049 1.9058 0.0000
H4 0.0000 -1.2049 1.9058   -1.2049 1.9058 0.0000
Cl5 0.0000 1.6190 -0.4579   1.6190 -0.4579 0.0000
Cl6 0.0000 -1.6190 -0.4579   -1.6190 -0.4579 0.0000
Atom - Atom Distances (Å)
  C1 C2 H3 H4 Cl5 Cl6
C1 1.3313 1.0715 2.0871 1.7251 2.6994
C2 1.3313 2.0871 1.0715 2.6994 1.7251
H3 1.0715 2.0871 2.4097 2.3997 3.6826
H4 2.0871 1.0715 2.4097 3.6826 2.3997
Cl5 1.7251 2.6994 2.3997 3.6826 3.2379
Cl6 2.6994 1.7251 3.6826 2.3997 3.2379
Maximum atom distance is 3.6826Å between atoms H3 and Cl6.
picture of Ethene, 1,2-dichloro-, (Z)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl6 123.546 C2 C1 Cl5 123.546
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 120.215 C2 C1 H3 120.215
H3 C1 Cl5 116.238 H4 C2 Cl6 116.238

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