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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

MP2=FULL/6-311G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0948 0.5125 -0.1163   0.1162 0.5145 -0.0836
C2 1.2228 -0.1650 0.0141   -1.2286 -0.1151 0.0024
O3 -1.1596 -0.3436 0.0228   1.1444 -0.3918 0.0023
H4 -0.2254 1.5153 0.2869   0.2864 1.4836 0.3821
H5 1.2686 -1.0282 -0.6550   -1.3074 -0.9318 -0.7199
H6 2.0318 0.5213 -0.2439   -2.0078 0.6189 -0.2127
H7 1.3940 -0.5286 1.0368   -1.4183 -0.5350 1.0000
H8 -1.9597 0.1843 0.0062   1.9656 0.1027 0.0198
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.4873 1.3733 1.0887 2.1267 2.1305 2.1518 1.8975
C2 1.4873 2.3891 2.2350 1.0931 1.0918 1.0989 3.2016
O3 1.3733 2.3891 2.0971 2.6124 3.3173 2.7538 0.9587
H4 1.0887 2.2350 2.0971 3.0966 2.5229 2.7134 2.2041
H5 2.1267 1.0931 2.6124 3.0966 1.7755 1.7685 3.5113
H6 2.1305 1.0918 3.3173 2.5229 1.7755 1.7746 4.0135
H7 2.1518 1.0989 2.7538 2.7134 1.7685 1.7746 3.5802
H8 1.8975 3.2016 0.9587 2.2041 3.5113 4.0135 3.5802
Maximum atom distance is 4.0135Å 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 113.204
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.074 C1 C2 H6 110.448
C1 C2 H7 111.737 C1 O3 H8 107.579
C2 C1 H4 119.565 O3 C1 H4 116.341
H5 C2 H6 108.703 H5 C2 H7 107.572
H6 C2 H7 108.204

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