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Geometry for CH3CHOH (1-hydroxy-ethyl radical) 2A C1

1910171554
InChI=1S/C2H5O/c1-2-3/h2-3H,1H3 INChIKey=GAWIXWVDTYZWAW-UHFFFAOYSA-N

B2PLYP/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0915 0.5122 -0.1096   -0.0712 0.5206 -0.0810
C2 1.2262 -0.1652 0.0121   1.2188 -0.2133 0.0033
O3 -1.1656 -0.3427 0.0254   -1.1782 -0.2978 0.0059
H4 -0.2262 1.5204 0.2806   -0.1675 1.5101 0.3645
H5 1.2841 -1.0151 -0.6749   1.2452 -1.0254 -0.7298
H6 2.0339 0.5302 -0.2293   2.0536 0.4623 -0.1989
H7 1.4062 -0.5537 1.0262   1.3810 -0.6642 0.9943
H8 -1.9807 0.1777 -0.0205   -1.9723 0.2558 -0.0112
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.4865 1.3794 1.0894 2.1317 2.1289 2.1608 1.9207
C2 1.4865 2.3984 2.2411 1.0944 1.0928 1.1008 3.2253
O3 1.3794 2.3984 2.1021 2.6350 3.3262 2.7678 0.9682
H4 1.0894 2.2411 2.1021 3.1020 2.5196 2.7427 2.2297
H5 2.1317 1.0944 2.6350 3.1020 1.7744 1.7668 3.5369
H6 2.1289 1.0928 3.3262 2.5196 1.7744 1.7734 4.0355
H7 2.1608 1.1008 2.7678 2.7427 1.7668 1.7734 3.6197
H8 1.9207 3.2253 0.9682 2.2297 3.5369 4.0355 3.6197
Maximum atom distance is 4.0355Å between atoms H6 and H8.
picture of 1-hydroxy-ethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 O3 113.568
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.448 C1 C2 H6 110.314
C1 C2 H7 112.409 C1 O3 H8 108.530
C2 C1 H4 120.129 O3 C1 H4 116.244
H5 C2 H6 108.443 H5 C2 H7 107.190
H6 C2 H7 107.891

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