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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

B2PLYP=FULLultrafine/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.9977 -0.5755 0.0000   1.0296 -0.5163 0.0000
C2 0.0000 0.6265 0.0000   -0.0365 0.6254 0.0000
Cl3 -1.7361 0.0198 0.0000   -1.7343 -0.0815 0.0000
O4 2.3401 0.0114 0.0000   2.3355 0.1479 0.0000
H5 0.8085 -1.2046 0.8985   0.8774 -1.1554 0.8985
H6 0.8085 -1.2046 -0.8985   0.8774 -1.1554 -0.8985
H7 0.1327 1.2508 0.9017   0.0595 1.2564 0.9017
H8 0.1327 1.2508 -0.9017   0.0595 1.2564 -0.9017
H9 2.9236 -0.8257 0.0000   2.9668 -0.6537 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 O4 H5 H6 H7 H8 H9
C1 1.5621 2.7978 1.4651 1.1131 1.1131 2.2129 2.2129 1.9421
C2 1.5621 1.8390 2.4196 2.1941 2.1941 1.1047 1.1047 3.2644
Cl3 2.7978 1.8390 4.0762 2.9633 2.9633 2.4126 2.4126 4.7358
O4 1.4651 2.4196 4.0762 2.1522 2.1522 2.6874 2.6874 1.0204
H5 1.1131 2.1941 2.9633 2.1522 1.7971 2.5468 3.1188 2.3291
H6 1.1131 2.1941 2.9633 2.1522 1.7971 3.1188 2.5468 2.3291
H7 2.2129 1.1047 2.4126 2.6874 2.5468 3.1188 1.8034 3.5936
H8 2.2129 1.1047 2.4126 2.6874 3.1188 2.5468 1.8034 3.5936
H9 1.9421 3.2644 4.7358 1.0204 2.3291 2.3291 3.5936 3.5936
Maximum atom distance is 4.7358Å 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 110.429 C2 C1 O4 106.076
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.987 C1 C2 H8 110.987
C1 O4 H9 101.260 C2 C1 H5 109.047
C2 C1 H6 109.047 Cl3 C2 H7 107.448
Cl3 C2 H8 107.448 O4 C1 H5 112.469
O4 C1 H6 112.469 H5 C1 H6 107.655
H7 C2 H8 109.413

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