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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

PBEPBEultrafine/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4524 0.6001 -0.0665   -0.4407 0.6102 -0.0524
C2 1.6554 -0.2650 0.0079   -1.6602 -0.2333 -0.0018
Cl3 -1.1213 -0.1288 0.0056   1.1186 -0.1504 0.0045
H4 0.4564 1.6741 0.1667   -0.4246 1.6779 0.2077
H5 1.5980 -1.1102 -0.7106   -1.6173 -1.0612 -0.7410
H6 2.5627 0.3301 -0.2208   -2.5554 0.3848 -0.2172
H7 1.7979 -0.7159 1.0207   -1.8137 -0.7064 0.9992
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 H6 H7
C1 1.4836 1.7358 1.0990 2.1569 2.1331 2.1735
C2 1.4836 2.7801 2.2854 1.1108 1.1089 1.1177
Cl3 1.7358 2.7801 2.4011 2.9784 3.7194 3.1460
H4 1.0990 2.2854 2.4011 3.1345 2.5284 2.8707
H5 2.1569 1.1108 2.9784 3.1345 1.8014 1.7869
H6 2.1331 1.1089 3.7194 2.5284 1.8014 1.7945
H7 2.1735 1.1177 3.1460 2.8707 1.7869 1.7945
Maximum atom distance is 3.7194Å 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 119.221
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.672 C1 C2 H6 109.882
C1 C2 H7 112.586 C2 C1 H4 123.799
H5 C2 H6 108.497 H5 C2 H7 106.607
H6 C2 H7 107.400

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