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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

B1B95/CEP-31G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4938 0.5846 0.0000   0.6701 0.3695 0.0000
C2 -0.4938 -0.5846 0.0000   -0.6701 -0.3695 0.0000
Cl3 -0.4938 2.1807 0.0000   2.0414 -0.9121 0.0000
Cl4 0.4938 -2.1807 0.0000   -2.0414 0.9121 0.0000
H5 1.1171 0.6032 0.9013   0.8107 0.9770 0.9013
H6 1.1171 0.6032 -0.9013   0.8107 0.9770 -0.9013
H7 -1.1171 -0.6032 0.9013   -0.8107 -0.9770 0.9013
H8 -1.1171 -0.6032 -0.9013   -0.8107 -0.9770 -0.9013
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 H5 H6 H7 H8
C1 1.5305 1.8769 2.7653 1.0960 1.0960 2.1951 2.1951
C2 1.5305 2.7653 1.8769 2.1951 2.1951 1.0960 1.0960
Cl3 1.8769 2.7653 4.4718 2.4281 2.4281 2.9919 2.9919
Cl4 2.7653 1.8769 4.4718 2.9919 2.9919 2.4281 2.4281
H5 1.0960 2.1951 2.4281 2.9919 1.8025 2.5392 3.1139
H6 1.0960 2.1951 2.4281 2.9919 1.8025 3.1139 2.5392
H7 2.1951 1.0960 2.9919 2.4281 2.5392 3.1139 1.8025
H8 2.1951 1.0960 2.9919 2.4281 3.1139 2.5392 1.8025
Maximum atom distance is 4.4718Å 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 108.068 C2 C1 Cl3 108.068
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.331 C1 C2 H8 112.331
C2 C1 H5 112.331 C2 C1 H6 112.331
Cl3 C1 H5 106.547 Cl3 C1 H6 106.547
Cl4 C2 H7 106.547 Cl4 C2 H8 106.547
H5 C1 H6 110.640 H7 C2 H8 110.640

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