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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

mPW1PW91/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.9674 -0.5515 0.0000   0.9943 -0.5015 0.0000
C2 0.0000 0.6130 0.0000   -0.0312 0.6122 0.0000
Cl3 -1.6882 0.0043 0.0000   -1.6862 -0.0816 0.0000
O4 2.2667 0.0166 0.0000   2.2629 0.1321 0.0000
H5 0.7970 -1.1720 0.8931   0.8556 -1.1298 0.8931
H6 0.7970 -1.1720 -0.8931   0.8556 -1.1298 -0.8931
H7 0.1260 1.2297 0.8942   0.0633 1.2345 0.8942
H8 0.1260 1.2297 -0.8942   0.0633 1.2345 -0.8942
H9 2.9152 -0.6915 0.0000   2.9466 -0.5422 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 O4 H5 H6 H7 H8 H9
C1 1.5139 2.7132 1.4180 1.1008 1.1008 2.1633 2.1633 1.9528
C2 1.5139 1.7946 2.3438 2.1491 2.1491 1.0935 1.0935 3.1938
Cl3 2.7132 1.7946 3.9549 2.8909 2.8909 2.3649 2.3649 4.6557
O4 1.4180 2.3438 3.9549 2.0905 2.0905 2.6179 2.6179 0.9602
H5 1.1008 2.1491 2.8909 2.0905 1.7862 2.4936 3.0680 2.3485
H6 1.1008 2.1491 2.8909 2.0905 1.7862 3.0680 2.4936 2.3485
H7 2.1633 1.0935 2.3649 2.6179 2.4936 3.0680 1.7884 3.5029
H8 2.1633 1.0935 2.3649 2.6179 3.0680 2.4936 1.7884 3.5029
H9 1.9528 3.1938 4.6557 0.9602 2.3485 2.3485 3.5029 3.5029
Maximum atom distance is 4.6557Å 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 109.896 C2 C1 O4 106.104
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.109 C1 C2 H8 111.109
C1 O4 H9 108.866 C2 C1 H5 109.550
C2 C1 H6 109.550 Cl3 C2 H7 107.440
Cl3 C2 H8 107.440 O4 C1 H5 111.573
O4 C1 H6 111.573 H5 C1 H6 108.455
H7 C2 H8 109.710

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