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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

MP2/STO-3G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4724 0.6339 -0.1238   -0.4596 0.6474 -0.0998
C2 1.6933 -0.2829 0.0171   -1.6985 -0.2504 0.0010
Cl3 -1.1475 -0.1308 0.0098   1.1447 -0.1534 0.0078
H4 0.5009 1.6453 0.3194   -0.4701 1.6407 0.3834
H5 1.6071 -1.1545 -0.6545   -1.6267 -1.0961 -0.7046
H6 2.6047 0.2826 -0.2449   -2.5979 0.3427 -0.2408
H7 1.8006 -0.6547 1.0543   -1.8167 -0.6611 1.0222
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 H6 H7
C1 1.5333 1.7963 1.1046 2.1835 2.1645 2.1938
C2 1.5333 2.8448 2.2872 1.1037 1.1042 1.1071
Cl3 1.7963 2.8448 2.4429 3.0128 3.7835 3.1712
H4 1.1046 2.2872 2.4429 3.1641 2.5694 2.7422
H5 2.1835 1.1037 3.0128 3.1641 1.7968 1.7909
H6 2.1645 1.1042 3.7835 2.5694 1.7968 1.7925
H7 2.1938 1.1071 3.1712 2.7422 1.7909 1.7925
Maximum atom distance is 3.7835Å 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 117.170
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.738 C1 C2 H6 109.222
C1 C2 H7 111.354 C2 C1 H4 119.346
H5 C2 H6 108.938 H5 C2 H7 108.208
H6 C2 H7 108.316

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