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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

CCSD/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4452 0.6030 -0.0763   -0.4333 0.6140 -0.0535
C2 1.6518 -0.2670 0.0104   -1.6566 -0.2355 -0.0048
Cl3 -1.1149 -0.1290 0.0064   1.1122 -0.1504 0.0043
H4 0.4598 1.6541 0.1917   -0.4289 1.6537 0.2559
H5 1.5890 -1.0969 -0.7038   -1.6071 -1.0375 -0.7512
H6 2.5479 0.3221 -0.2156   -2.5405 0.3791 -0.2098
H7 1.7744 -0.7027 1.0148   -1.7910 -0.7082 0.9812
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 H6 H7
C1 1.4901 1.7252 1.0848 2.1428 2.1260 2.1592
C2 1.4901 2.7701 2.2681 1.0967 1.0960 1.1017
Cl3 1.7252 2.7701 2.3860 2.9584 3.6971 3.1135
H4 1.0848 2.2681 2.3860 3.1056 2.5101 2.8214
H5 2.1428 1.0967 2.9584 3.1056 1.7808 1.7730
H6 2.1260 1.0960 3.6971 2.5101 1.7808 1.7784
H7 2.1592 1.1017 3.1135 2.8214 1.7730 1.7784
Maximum atom distance is 3.6971Å 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 118.799
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.952 C1 C2 H6 109.649
C1 C2 H7 111.965 C2 C1 H4 122.712
H5 C2 H6 108.618 H5 C2 H7 107.510
H6 C2 H7 108.035

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