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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

HF/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0979 0.5107 -0.1161   -0.0787 0.5200 -0.0849
C2 1.2248 -0.1648 0.0115   1.2179 -0.2102 0.0027
O3 -1.1579 -0.3348 0.0300   -1.1695 -0.2931 0.0083
H4 -0.2282 1.4994 0.3007   -0.1741 1.4857 0.3912
H5 1.2861 -1.0074 -0.6685   1.2504 -1.0115 -0.7273
H6 2.0297 0.5235 -0.2198   2.0482 0.4609 -0.1855
H7 1.3836 -0.5448 1.0203   1.3593 -0.6564 0.9867
H8 -1.9689 0.1325 -0.0445   -1.9626 0.2073 -0.0384
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.4907 1.3637 1.0809 2.1272 2.1301 2.1448 1.9102
C2 1.4907 2.3888 2.2281 1.0845 1.0841 1.0896 3.2080
O3 1.3637 2.3888 2.0740 2.6293 3.3106 2.7357 0.9389
H4 1.0809 2.2281 2.0740 3.0849 2.5142 2.7008 2.2400
H5 2.1272 1.0845 2.6293 3.0849 1.7601 1.7538 3.5048
H6 2.1301 1.0841 3.3106 2.5142 1.7601 1.7598 4.0215
H7 2.1448 1.0896 2.7357 2.7008 1.7538 1.7598 3.5822
H8 1.9102 3.2080 0.9389 2.2400 3.5048 4.0215 3.5822
Maximum atom distance is 4.0215Å 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 113.553
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.397 C1 C2 H6 110.658
C1 C2 H7 111.507 C1 O3 H8 110.757
C2 C1 H4 119.241 O3 C1 H4 115.597
H5 C2 H6 108.513 H5 C2 H7 107.544
H6 C2 H7 108.106

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