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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

M06-2X/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.9870 -0.5728 0.0000   1.0200 -0.5119 0.0000
C2 0.0000 0.6248 0.0000   -0.0379 0.6237 0.0000
Cl3 -1.7205 0.0225 0.0000   -1.7187 -0.0818 0.0000
O4 2.3203 0.0043 0.0000   2.3158 0.1450 0.0000
H5 0.7916 -1.1970 0.8952   0.8628 -1.1468 0.8952
H6 0.7916 -1.1970 -0.8952   0.8628 -1.1468 -0.8952
H7 0.1363 1.2452 0.8988   0.0605 1.2512 0.8988
H8 0.1363 1.2452 -0.8988   0.0605 1.2512 -0.8988
H9 2.9071 -0.8262 0.0000   2.9519 -0.6484 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 O4 H5 H6 H7 H8 H9
C1 1.5519 2.7722 1.4528 1.1087 1.1087 2.1993 2.1993 1.9368
C2 1.5519 1.8228 2.4019 2.1787 2.1787 1.1006 1.1006 3.2492
Cl3 2.7722 1.8228 4.0408 2.9324 2.9324 2.3980 2.3980 4.7048
O4 1.4528 2.4019 4.0408 2.1404 2.1404 2.6679 2.6679 1.0169
H5 1.1087 2.1787 2.9324 2.1404 1.7904 2.5286 3.1003 2.3268
H6 1.1087 2.1787 2.9324 2.1404 1.7904 3.1003 2.5286 2.3268
H7 2.1993 1.1006 2.3980 2.6679 2.5286 3.1003 1.7975 3.5744
H8 2.1993 1.1006 2.3980 2.6679 3.1003 2.5286 1.7975 3.5744
H9 1.9368 3.2492 4.7048 1.0169 2.3268 2.3268 3.5744 3.5744
Maximum atom distance is 4.7048Å 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 110.201 C2 C1 O4 106.089
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.870 C1 C2 H8 110.870
C1 O4 H9 101.838 C2 C1 H5 108.805
C2 C1 H6 108.805 Cl3 C2 H7 107.648
Cl3 C2 H8 107.648 O4 C1 H5 112.669
O4 C1 H6 112.669 H5 C1 H6 107.694
H7 C2 H8 109.497

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