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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

wB97X-D/6-311+G(3df,2p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.4598 0.8124 0.0000   -1.6232 -0.3955 0.0000
C2 0.0000 0.8694 0.0000   -0.5906 0.6381 0.0000
Cl3 0.7019 -0.8320 0.0000   1.0803 -0.1338 0.0000
H4 -1.9984 0.6929 0.9289   -1.9373 -0.8490 0.9289
H5 -1.9984 0.6929 -0.9289   -1.9373 -0.8490 -0.9289
H6 0.4117 1.3340 -0.8908   -0.6040 1.2586 -0.8908
H7 0.4117 1.3340 0.8908   -0.6040 1.2586 0.8908
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 H6 H7
C1 1.4610 2.7161 1.0803 1.0803 2.1373 2.1373
C2 1.4610 1.8406 2.2108 2.2108 1.0857 1.0857
Cl3 2.7161 1.8406 3.2373 3.2373 2.3600 2.3600
H4 1.0803 2.2108 3.2373 1.8577 3.0872 2.4942
H5 1.0803 2.2108 3.2373 1.8577 2.4942 3.0872
H6 2.1373 1.0857 2.3600 3.0872 2.4942 1.7816
H7 2.1373 1.0857 2.3600 2.4942 3.0872 1.7816
Maximum atom distance is 3.2373Å 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 110.179
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 113.304 C1 C2 H7 113.304
C2 C1 H4 120.164 C2 C1 H5 120.164
Cl3 C2 H6 104.532 Cl3 C2 H7 104.532
H4 C1 H5 118.585

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