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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

PBE1PBE/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0908 0.5015 -0.0955   -0.0712 0.5087 -0.0711
C2 1.2226 -0.1626 0.0102   1.2154 -0.2101 0.0030
O3 -1.1638 -0.3385 0.0231   -1.1761 -0.2939 0.0061
H4 -0.2301 1.5262 0.2418   -0.1716 1.5205 0.3154
H5 1.2951 -0.9963 -0.6948   1.2573 -1.0109 -0.7416
H6 2.0236 0.5448 -0.2123   2.0437 0.4757 -0.1846
H7 1.4065 -0.5728 1.0153   1.3808 -0.6753 0.9871
H8 -1.9751 0.1727 -0.0231   -1.9669 0.2500 -0.0157
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.4756 1.3679 1.0877 2.1269 2.1182 2.1517 1.9141
C2 1.4756 2.3929 2.2397 1.0942 1.0916 1.1010 3.2154
O3 1.3679 2.3929 2.0968 2.6447 3.3160 2.7651 0.9600
H4 1.0877 2.2397 2.0968 3.0930 2.4998 2.7717 2.2241
H5 2.1269 1.0942 2.6447 3.0930 1.7716 1.7653 3.5373
H6 2.1182 1.0916 3.3160 2.4998 1.7716 1.7711 4.0205
H7 2.1517 1.1010 2.7651 2.7717 1.7653 1.7711 3.6151
H8 1.9141 3.2154 0.9600 2.2241 3.5373 4.0205 3.6151
Maximum atom distance is 4.0205Å 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 114.556
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.840 C1 C2 H6 110.299
C1 C2 H7 112.440 C1 O3 H8 109.367
C2 C1 H4 121.050 O3 C1 H4 116.821
H5 C2 H6 108.286 H5 C2 H7 107.051
H6 C2 H7 107.757

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