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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

BLYP/aug-cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0854 0.5080 -0.0923   -0.0652 0.5146 -0.0693
C2 1.2360 -0.1647 0.0108   1.2286 -0.2136 0.0030
O3 -1.1811 -0.3430 0.0183   -1.1937 -0.2967 0.0031
H4 -0.2348 1.5394 0.2275   -0.1745 1.5356 0.2967
H5 1.3221 -0.9859 -0.7156   1.2834 -1.0039 -0.7596
H6 2.0412 0.5527 -0.1848   2.0616 0.4798 -0.1602
H7 1.4149 -0.6052 1.0114   1.3885 -0.7053 0.9827
H8 -1.9982 0.1831 0.0043   -1.9895 0.2612 0.0130
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.4863 1.3918 1.0901 2.1450 2.1290 2.1698 1.9426
C2 1.4863 2.4237 2.2615 1.0997 1.0960 1.1078 3.2529
O3 1.3918 2.4237 2.1172 2.6866 3.3506 2.7918 0.9719
H4 1.0901 2.2615 2.1172 3.1130 2.5147 2.8169 2.2358
H5 2.1450 1.0997 2.6866 3.1130 1.7794 1.7709 3.5929
H6 2.1290 1.0960 3.3506 2.5147 1.7794 1.7787 4.0607
H7 2.1698 1.1078 2.7918 2.8169 1.7709 1.7787 3.6448
H8 1.9426 3.2529 0.9719 2.2358 3.5929 4.0607 3.6448
Maximum atom distance is 4.0607Å 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 114.688
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.207 C1 C2 H6 110.148
C1 C2 H7 112.716 C1 O3 H8 109.260
C2 C1 H4 121.988 O3 C1 H4 116.564
H5 C2 H6 108.268 H5 C2 H7 106.682
H6 C2 H7 107.624

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