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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/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.9796 -0.5463 0.0000   -1.0061 0.4958 0.0000
C2 0.0000 0.6068 0.0000   0.0308 -0.6060 0.0000
Cl3 -1.6891 -0.0051 0.0000   1.6867 0.0908 0.0000
O4 2.2542 0.0315 0.0000   -2.2497 -0.1458 0.0000
H5 0.8237 -1.1630 0.8800   -0.8816 1.1197 0.8800
H6 0.8237 -1.1630 -0.8800   -0.8816 1.1197 -0.8800
H7 0.1196 1.2158 0.8803   -0.0577 -1.2203 0.8803
H8 0.1196 1.2158 -0.8803   -0.0577 -1.2203 -0.8803
H9 2.9169 -0.6342 0.0000   -2.9454 0.4854 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 O4 H5 H6 H7 H8 H9
C1 1.5130 2.7230 1.3994 1.0859 1.0859 2.1493 2.1493 1.9393
C2 1.5130 1.7965 2.3265 2.1412 2.1412 1.0771 1.0771 3.1700
Cl3 2.7230 1.7965 3.9435 2.9033 2.9033 2.3530 2.3530 4.6488
O4 1.3994 2.3265 3.9435 2.0610 2.0610 2.5951 2.5951 0.9393
H5 1.0859 2.1412 2.9033 2.0610 1.7600 2.4808 3.0419 2.3315
H6 1.0859 2.1412 2.9033 2.0610 1.7600 3.0419 2.4808 2.3315
H7 2.1493 1.0771 2.3530 2.5951 2.4808 3.0419 1.7607 3.4674
H8 2.1493 1.0771 2.3530 2.5951 3.0419 2.4808 1.7607 3.4674
H9 1.9393 3.1700 4.6488 0.9393 2.3315 2.3315 3.4674 3.4674
Maximum atom distance is 4.6488Å 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 110.439 C2 C1 O4 105.969
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.041 C1 C2 H8 111.041
C1 O4 H9 110.490 C2 C1 H5 109.869
C2 C1 H6 109.869 Cl3 C2 H7 107.273
Cl3 C2 H8 107.273 O4 C1 H5 111.423
O4 C1 H6 111.423 H5 C1 H6 108.277
H7 C2 H8 109.631

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