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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

MP2/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.9622 -0.5628 0.0000   -0.9925 0.5076 0.0000
C2 0.0000 0.6078 0.0000   0.0343 -0.6068 0.0000
Cl3 -1.6797 0.0137 0.0000   1.6778 0.0812 0.0000
O4 2.2547 0.0149 0.0000   -2.2503 -0.1422 0.0000
H5 0.7843 -1.1803 0.8874   -0.8497 1.1341 0.8874
H6 0.7843 -1.1803 -0.8874   -0.8497 1.1341 -0.8874
H7 0.1408 1.2202 0.8884   -0.0716 -1.2262 0.8884
H8 0.1408 1.2202 -0.8884   -0.0716 -1.2262 -0.8884
H9 2.8931 -0.7018 0.0000   -2.9282 0.5373 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 O4 H5 H6 H7 H8 H9
C1 1.5153 2.7041 1.4157 1.0957 1.0957 2.1548 2.1548 1.9359
C2 1.5153 1.7816 2.3314 2.1447 2.1447 1.0882 1.0882 3.1757
Cl3 2.7041 1.7816 3.9344 2.8782 2.8782 2.3577 2.3577 4.6285
O4 1.4157 2.3314 3.9344 2.0925 2.0925 2.5905 2.5905 0.9598
H5 1.0957 2.1447 2.8782 2.0925 1.7749 2.4853 3.0545 2.3375
H6 1.0957 2.1447 2.8782 2.0925 1.7749 3.0545 2.4853 2.3375
H7 2.1548 1.0882 2.3577 2.5905 2.4853 3.0545 1.7768 3.4726
H8 2.1548 1.0882 2.3577 2.5905 3.0545 2.4853 1.7768 3.4726
H9 1.9359 3.1757 4.6285 0.9598 2.3375 2.3375 3.4726 3.4726
Maximum atom distance is 4.6285Å 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 109.944 C2 C1 O4 105.338
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.647 C1 C2 H8 110.647
C1 O4 H9 107.609 C2 C1 H5 109.404
C2 C1 H6 109.404 Cl3 C2 H7 108.036
Cl3 C2 H8 108.036 O4 C1 H5 112.227
O4 C1 H6 112.227 H5 C1 H6 108.177
H7 C2 H8 109.455

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