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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/6-31G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4512 0.5980 -0.0609   -0.4392 0.6088 -0.0377
C2 1.6565 -0.2645 0.0076   -1.6614 -0.2319 -0.0082
Cl3 -1.1212 -0.1286 0.0052   1.1184 -0.1508 0.0033
H4 0.4559 1.6676 0.1534   -0.4238 1.6686 0.2203
H5 1.6100 -1.0889 -0.7253   -1.6282 -1.0263 -0.7743
H6 2.5556 0.3373 -0.2025   -2.5477 0.3956 -0.1962
H7 1.7924 -0.7313 1.0058   -1.8102 -0.7364 0.9695
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 H6 H7
C1 1.4837 1.7334 1.0909 2.1517 2.1252 2.1687
C2 1.4837 2.7810 2.2794 1.1041 1.1021 1.1102
Cl3 1.7334 2.7810 2.3949 2.9858 3.7120 3.1390
H4 1.0909 2.2794 2.3949 3.1149 2.5110 2.8753
H5 2.1517 1.1041 2.9858 3.1149 1.7893 1.7770
H6 2.1252 1.1021 3.7120 2.5110 1.7893 1.7844
H7 2.1687 1.1102 3.1390 2.8753 1.7770 1.7844
Maximum atom distance is 3.7120Å 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 119.438
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.663 C1 C2 H6 109.665
C1 C2 H7 112.665 C2 C1 H4 123.875
H5 C2 H6 108.393 H5 C2 H7 106.740
H6 C2 H7 107.526

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