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Geometry for CHClCH3 (1-chloroethyl radical) 2A C1

1910171554
InChI=1S/C2H4Cl/c1-2-3/h2H,1H3 INChIKey=JSICDMRDIHNAKT-UHFFFAOYSA-N

CCD/6-31G(2df,p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4430 0.6061 -0.0788   -0.4310 0.6173 -0.0550
C2 1.6467 -0.2674 0.0104   -1.6516 -0.2357 -0.0054
Cl3 -1.1105 -0.1295 0.0065   1.1078 -0.1511 0.0044
H4 0.4550 1.6500 0.1977   -0.4239 1.6490 0.2641
H5 1.5797 -1.0972 -0.6962   -1.5979 -1.0369 -0.7453
H6 2.5434 0.3129 -0.2147   -2.5361 0.3706 -0.2089
H7 1.7625 -0.6963 1.0130   -1.7792 -0.7031 0.9785
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 H6 H7
C1 1.4899 1.7210 1.0799 2.1388 2.1251 2.1516
C2 1.4899 2.7607 2.2654 1.0919 1.0916 1.0967
Cl3 1.7210 2.7607 2.3778 2.9440 3.6872 3.0965
H4 1.0799 2.2654 2.3778 3.1002 2.5139 2.8071
H5 2.1388 1.0919 2.9440 3.1002 1.7746 1.7651
H6 2.1251 1.0916 3.6872 2.5139 1.7746 1.7708
H7 2.1516 1.0967 3.0965 2.8071 1.7651 1.7708
Maximum atom distance is 3.6872Å between atoms Cl3 and H6.
picture of 1-chloroethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 Cl3 118.404
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.929 C1 C2 H6 109.855
C1 C2 H7 111.673 C2 C1 H4 122.850
H5 C2 H6 108.726 H5 C2 H7 107.511
H6 C2 H7 108.040

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