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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

wB97X-D/aug-cc-pVQZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0925 0.5012 -0.0956   0.1123 0.5012 -0.0711
C2 1.2249 -0.1622 0.0111   -1.2303 -0.1145 0.0020
O3 -1.1633 -0.3382 0.0206   1.1492 -0.3840 0.0052
H4 -0.2366 1.5237 0.2356   0.2952 1.5001 0.3095
H5 1.3179 -0.9637 -0.7246   -1.3525 -0.8752 -0.7717
H6 2.0229 0.5577 -0.1617   -1.9991 0.6436 -0.1363
H7 1.3826 -0.6121 0.9998   -1.4082 -0.6053 0.9676
H8 -1.9746 0.1661 -0.0065   1.9796 0.0888 0.0034
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.4788 1.3655 1.0845 2.1285 2.1172 2.1483 1.9138
C2 1.4788 2.3947 2.2425 1.0919 1.0886 1.0976 3.2163
O3 1.3655 2.3947 2.0909 2.6651 3.3148 2.7414 0.9556
H4 1.0845 2.2425 2.0909 3.0863 2.4892 2.7870 2.2187
H5 2.1285 1.0919 2.6651 3.0863 1.7688 1.7610 3.5542
H6 2.1172 1.0886 3.3148 2.4892 1.7688 1.7684 4.0196
H7 2.1483 1.0976 2.7414 2.7870 1.7610 1.7684 3.5901
H8 1.9138 3.2163 0.9556 2.2187 3.5542 4.0196 3.5901
Maximum atom distance is 4.0196Å 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 114.626
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.890 C1 C2 H6 110.176
C1 C2 H7 112.139 C1 O3 H8 109.815
C2 C1 H4 121.284 O3 C1 H4 116.704
H5 C2 H6 108.427 H5 C2 H7 107.085
H6 C2 H7 107.978

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