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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

wB97X-D/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.9700 -0.5533 0.0000   -0.9953 0.5064 0.0000
C2 0.0000 0.6088 0.0000   0.0291 -0.6081 0.0000
Cl3 -1.6876 0.0085 0.0000   1.6861 0.0721 0.0000
O4 2.2633 0.0141 0.0000   -2.2600 -0.1222 0.0000
H5 0.7974 -1.1710 0.8868   -0.8524 1.1316 0.8868
H6 0.7974 -1.1710 -0.8868   -0.8524 1.1316 -0.8868
H7 0.1295 1.2213 0.8872   -0.0710 -1.2261 0.8872
H8 0.1295 1.2213 -0.8872   -0.0710 -1.2261 -0.8872
H9 2.9100 -0.6905 0.0000   -2.9397 0.5507 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 O4 H5 H6 H7 H8 H9
C1 1.5137 2.7163 1.4123 1.0945 1.0945 2.1548 2.1548 1.9449
C2 1.5137 1.7912 2.3401 2.1424 2.1424 1.0859 1.0859 3.1869
Cl3 2.7163 1.7912 3.9509 2.8902 2.8902 2.3580 2.3580 4.6505
O4 1.4123 2.3401 3.9509 2.0832 2.0832 2.6072 2.6072 0.9564
H5 1.0945 2.1424 2.8902 2.0832 1.7737 2.4839 3.0523 2.3411
H6 1.0945 2.1424 2.8902 2.0832 1.7737 3.0523 2.4839 2.3411
H7 2.1548 1.0859 2.3580 2.6072 2.4839 3.0523 1.7744 3.4891
H8 2.1548 1.0859 2.3580 2.6072 3.0523 2.4839 1.7744 3.4891
H9 1.9449 3.1869 4.6505 0.9564 2.3411 2.3411 3.4891 3.4891
Maximum atom distance is 4.6505Å 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 110.269 C2 C1 O4 106.162
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.897 C1 C2 H8 110.897
C1 O4 H9 108.863 C2 C1 H5 109.407
C2 C1 H6 109.407 Cl3 C2 H7 107.542
Cl3 C2 H8 107.542 O4 C1 H5 111.785
O4 C1 H6 111.785 H5 C1 H6 108.253
H7 C2 H8 109.578

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