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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

CID/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.9660 -0.5576 0.0000   -0.9483 0.5871 0.0000
C2 0.0000 0.6050 0.0000   -0.0186 -0.6047 0.0000
Cl3 -1.6823 0.0141 0.0000   1.6811 -0.0659 0.0000
O4 2.2532 0.0098 0.0000   -2.2524 0.0596 0.0000
H5 0.7983 -1.1745 0.8848   -0.7617 1.1986 0.8848
H6 0.7983 -1.1745 -0.8848   -0.7617 1.1986 -0.8848
H7 0.1390 1.2146 0.8846   -0.1764 -1.2097 0.8846
H8 0.1390 1.2146 -0.8846   -0.1764 -1.2097 -0.8846
H9 2.9031 -0.6825 0.0000   -2.8807 0.7717 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 O4 H5 H6 H7 H8 H9
C1 1.5116 2.7093 1.4067 1.0916 1.0916 2.1464 2.1464 1.9411
C2 1.5116 1.7831 2.3305 2.1417 2.1417 1.0833 1.0833 3.1758
Cl3 2.7093 1.7831 3.9355 2.8894 2.8894 2.3539 2.3539 4.6380
O4 1.4067 2.3305 3.9355 2.0742 2.0742 2.5891 2.5891 0.9496
H5 1.0916 2.1417 2.8894 2.0742 1.7695 2.4784 3.0452 2.3356
H6 1.0916 2.1417 2.8894 2.0742 1.7695 3.0452 2.4784 2.3356
H7 2.1464 1.0833 2.3539 2.5891 2.4784 3.0452 1.7692 3.4672
H8 2.1464 1.0833 2.3539 2.5891 3.0452 2.4784 1.7692 3.4672
H9 1.9411 3.1758 4.6380 0.9496 2.3356 2.3356 3.4672 3.4672
Maximum atom distance is 4.6380Å 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 110.367 C2 C1 O4 105.931
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.535 C1 C2 H8 110.535
C1 O4 H9 109.396 C2 C1 H5 109.664
C2 C1 H6 109.664 Cl3 C2 H7 107.914
Cl3 C2 H8 107.914 O4 C1 H5 111.627
O4 C1 H6 111.627 H5 C1 H6 108.300
H7 C2 H8 109.498

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