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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

M06-2X/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0920 0.5084 -0.0996   0.1120 0.5087 -0.0743
C2 1.2261 -0.1650 0.0112   -1.2316 -0.1174 0.0020
O3 -1.1631 -0.3404 0.0233   1.1489 -0.3862 0.0074
H4 -0.2351 1.5321 0.2512   0.2939 1.5075 0.3267
H5 1.3022 -0.9814 -0.7200   -1.3374 -0.8932 -0.7686
H6 2.0317 0.5528 -0.1789   -2.0082 0.6398 -0.1530
H7 1.3833 -0.6037 1.0122   -1.4085 -0.5985 0.9800
H8 -1.9819 0.1628 -0.0198   1.9868 0.0862 -0.0101
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.4843 1.3722 1.0915 2.1326 2.1256 2.1562 1.9229
C2 1.4843 2.3957 2.2523 1.0986 1.0956 1.1042 3.2248
O3 1.3722 2.3957 2.1022 2.6535 3.3235 2.7444 0.9620
H4 1.0915 2.2523 2.1022 3.1023 2.5065 2.7857 2.2359
H5 2.1326 1.0986 2.6535 3.1023 1.7829 1.7748 3.5475
H6 2.1256 1.0956 3.3235 2.5065 1.7829 1.7823 4.0357
H7 2.1562 1.1042 2.7444 2.7857 1.7748 1.7823 3.6024
H8 1.9229 3.2248 0.9620 2.2359 3.5475 4.0357 3.6024
Maximum atom distance is 4.0357Å 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 113.947
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.424 C1 C2 H6 110.046
C1 C2 H7 111.983 C1 O3 H8 109.683
C2 C1 H4 121.197 O3 C1 H4 116.676
H5 C2 H6 108.694 H5 C2 H7 107.353
H6 C2 H7 108.234

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