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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

M06-2X/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4477 0.6059 -0.0826   -0.4358 0.6164 -0.0668
C2 1.6444 -0.2676 0.0112   -1.6492 -0.2362 0.0006
Cl3 -1.1115 -0.1288 0.0068   1.1088 -0.1503 0.0055
H4 0.4586 1.6477 0.2087   -0.4275 1.6499 0.2529
H5 1.5789 -1.0990 -0.6979   -1.5978 -1.0490 -0.7309
H6 2.5441 0.3120 -0.2132   -2.5371 0.3666 -0.2096
H7 1.7620 -0.7009 1.0151   -1.7777 -0.6944 0.9920
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 H6 H7
C1 1.4845 1.7259 1.0819 2.1365 2.1209 2.1541
C2 1.4845 2.7594 2.2613 1.0947 1.0935 1.0998
Cl3 1.7259 2.7594 2.3796 2.9455 3.6886 3.0986
H4 1.0819 2.2613 2.3796 3.1019 2.5122 2.8045
H5 2.1365 1.0947 2.9455 3.1019 1.7770 1.7682
H6 2.1209 1.0935 3.6886 2.5122 1.7770 1.7738
H7 2.1541 1.0998 3.0986 2.8045 1.7682 1.7738
Maximum atom distance is 3.6886Å 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 118.329
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.959 C1 C2 H6 109.779
C1 C2 H7 112.066 C2 C1 H4 122.782
H5 C2 H6 108.601 H5 C2 H7 107.368
H6 C2 H7 107.945

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