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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

B3PW91/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.9706 -0.5515 0.0000   0.9966 -0.5029 0.0000
C2 0.0000 0.6136 0.0000   -0.0303 0.6128 0.0000
Cl3 -1.6928 0.0021 0.0000   -1.6908 -0.0815 0.0000
O4 2.2724 0.0206 0.0000   2.2686 0.1328 0.0000
H5 0.8018 -1.1734 0.8944   0.8588 -1.1323 0.8944
H6 0.8018 -1.1734 -0.8944   0.8588 -1.1323 -0.8944
H7 0.1244 1.2315 0.8954   0.0634 1.2361 0.8954
H8 0.1244 1.2315 -0.8954   0.0634 1.2361 -0.8954
H9 2.9224 -0.6892 0.0000   2.9529 -0.5440 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 O4 H5 H6 H7 H8 H9
C1 1.5164 2.7203 1.4220 1.1023 1.1023 2.1672 2.1672 1.9567
C2 1.5164 1.7998 2.3485 2.1531 2.1531 1.0950 1.0950 3.1997
Cl3 2.7203 1.7998 3.9652 2.8991 2.8991 2.3696 2.3696 4.6667
O4 1.4220 2.3485 3.9652 2.0948 2.0948 2.6233 2.6233 0.9625
H5 1.1023 2.1531 2.8991 2.0948 1.7888 2.4984 3.0734 2.3519
H6 1.1023 2.1531 2.8991 2.0948 1.7888 3.0734 2.4984 2.3519
H7 2.1672 1.0950 2.3696 2.6233 2.4984 3.0734 1.7909 3.5099
H8 2.1672 1.0950 2.3696 2.6233 3.0734 2.4984 1.7909 3.5099
H9 1.9567 3.1997 4.6667 0.9625 2.3519 2.3519 3.5099 3.5099
Maximum atom distance is 4.6667Å 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 109.935 C2 C1 O4 106.072
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.152 C1 C2 H8 111.152
C1 O4 H9 108.762 C2 C1 H5 109.601
C2 C1 H6 109.601 Cl3 C2 H7 107.370
Cl3 C2 H8 107.370 O4 C1 H5 111.535
O4 C1 H6 111.535 H5 C1 H6 108.463
H7 C2 H8 109.717

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