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Geometry for CH2ClCH2Cl (Ethane, 1,2-dichloro-) 1Ag C2H

1910171554
InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2 INChIKey=WSLDOOZREJYCGB-UHFFFAOYSA-N

HF/CEP-121G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.7619 0.0000   0.4753 -0.5955 0.0000
C2 0.0000 -0.7619 0.0000   -0.4753 0.5955 0.0000
Cl3 -1.7053 1.3488 0.0000   2.1742 0.0097 0.0000
Cl4 1.7053 -1.3488 0.0000   -2.1742 -0.0097 0.0000
H5 0.4757 1.1583 0.8837   0.3508 -1.2020 0.8837
H6 0.4757 1.1583 -0.8837   0.3508 -1.2020 -0.8837
H7 -0.4757 -1.1583 0.8837   -0.3508 1.2020 0.8837
H8 -0.4757 -1.1583 -0.8837   -0.3508 1.2020 -0.8837
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 H5 H6 H7 H8
C1 1.5237 1.8035 2.7135 1.0791 1.0791 2.1666 2.1666
C2 1.5237 2.7135 1.8035 2.1666 2.1666 1.0791 1.0791
Cl3 1.8035 2.7135 4.3485 2.3609 2.3609 2.9289 2.9289
Cl4 2.7135 1.8035 4.3485 2.9289 2.9289 2.3609 2.3609
H5 1.0791 2.1666 2.3609 2.9289 1.7675 2.5044 3.0652
H6 1.0791 2.1666 2.3609 2.9289 1.7675 3.0652 2.5044
H7 2.1666 1.0791 2.9289 2.3609 2.5044 3.0652 1.7675
H8 2.1666 1.0791 2.9289 2.3609 3.0652 2.5044 1.7675
Maximum atom distance is 4.3485Å between atoms Cl3 and Cl4.
picture of Ethane, 1,2-dichloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl4 108.991 C2 C1 Cl3 108.991
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.555 C1 C2 H8 111.555
C2 C1 H5 111.555 C2 C1 H6 111.555
Cl3 C1 H5 107.293 Cl3 C1 H6 107.293
Cl4 C2 H7 107.293 Cl4 C2 H8 107.293
H5 C1 H6 109.963 H7 C2 H8 109.963

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