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Geometry for CH2CH2Cl (2-chloroethyl radical) 2A' CS

1910171554
InChI=1S/C2H4Cl/c1-2-3/h1-2H2 INChIKey=WOWSRBBIBJLBJW-UHFFFAOYSA-N

PBE1PBE/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.4886 0.8423 0.0000   1.6649 0.3917 0.0000
C2 0.0000 0.8764 0.0000   0.5948 -0.6437 0.0000
Cl3 0.7156 -0.8475 0.0000   -1.1007 0.1368 0.0000
H4 -2.0285 0.6902 0.9389   1.9582 0.8698 0.9389
H5 -2.0285 0.6902 -0.9389   1.9582 0.8698 -0.9389
H6 0.4118 1.3574 -0.9027   0.6188 -1.2765 -0.9027
H7 0.4118 1.3574 0.9027   0.6188 -1.2765 0.9027
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 H6 H7
C1 1.4890 2.7774 1.0937 1.0937 2.1661 2.1661
C2 1.4890 1.8665 2.2430 2.2430 1.1027 1.1027
Cl3 2.7774 1.8665 3.2827 3.2827 2.4019 2.4019
H4 1.0937 2.2430 3.2827 1.8778 3.1292 2.5302
H5 1.0937 2.2430 3.2827 1.8778 2.5302 3.1292
H6 2.1661 1.1027 2.4019 3.1292 2.5302 1.8054
H7 2.1661 1.1027 2.4019 2.5302 3.1292 1.8054
Maximum atom distance is 3.2827Å between atoms Cl3 and H4.
picture of 2-chloroethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl3 111.230
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 112.544 C1 C2 H7 112.544
C2 C1 H4 119.782 C2 C1 H5 119.782
Cl3 C2 H6 105.052 Cl3 C2 H7 105.052
H4 C1 H5 118.288

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