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Geometry for CH2ClCH2OH (2-Chloroethanol) 1A' CS

1910171554
InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2 INChIKey=SZIFAVKTNFCBPC-UHFFFAOYSA-N

HF/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.9752 -0.5507 0.0000   -1.0023 0.4998 0.0000
C2 0.0000 0.6100 0.0000   0.0314 -0.6092 0.0000
Cl3 -1.6856 0.0062 0.0000   1.6836 0.0805 0.0000
O4 2.2542 0.0126 0.0000   -2.2506 -0.1286 0.0000
H5 0.8083 -1.1670 0.8801   -0.8673 1.1239 0.8801
H6 0.8083 -1.1670 -0.8801   -0.8673 1.1239 -0.8801
H7 0.1248 1.2195 0.8814   -0.0619 -1.2244 0.8814
H8 0.1248 1.2195 -0.8814   -0.0619 -1.2244 -0.8814
H9 2.9030 -0.6672 0.0000   -2.9335 0.5170 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 O4 H5 H6 H7 H8 H9
C1 1.5160 2.7184 1.3975 1.0874 1.0874 2.1526 2.1526 1.9313
C2 1.5160 1.7904 2.3320 2.1415 2.1415 1.0789 1.0789 3.1716
Cl3 2.7184 1.7904 3.9398 2.8932 2.8932 2.3509 2.3509 4.6378
O4 1.3975 2.3320 3.9398 2.0632 2.0632 2.6015 2.6015 0.9398
H5 1.0874 2.1415 2.8932 2.0632 1.7603 2.4825 3.0440 2.3264
H6 1.0874 2.1415 2.8932 2.0632 1.7603 3.0440 2.4825 2.3264
H7 2.1526 1.0789 2.3509 2.6015 2.4825 3.0440 1.7628 3.4721
H8 2.1526 1.0789 2.3509 2.6015 3.0440 2.4825 1.7628 3.4721
H9 1.9313 3.1716 4.6378 0.9398 2.3264 2.3264 3.4721 3.4721
Maximum atom distance is 4.6378Å between atoms Cl3 and H9.
picture of 2-Chloroethanol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl3 110.330 C2 C1 O4 106.266
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.986 C1 C2 H8 110.986
C1 O4 H9 109.890 C2 C1 H5 109.586
C2 C1 H6 109.586 Cl3 C2 H7 107.425
Cl3 C2 H8 107.425 O4 C1 H5 111.651
O4 C1 H6 111.651 H5 C1 H6 108.079
H7 C2 H8 109.560

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