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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

PBEPBEultrafine/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0921 0.5073 -0.1016   0.1126 0.5076 -0.0759
C2 1.2293 -0.1621 0.0116   -1.2348 -0.1131 0.0018
O3 -1.1732 -0.3465 0.0208   1.1584 -0.3938 0.0051
H4 -0.2299 1.5466 0.2519   0.2906 1.5217 0.3294
H5 1.2903 -1.0355 -0.6732   -1.3284 -0.9480 -0.7259
H6 2.0448 0.5409 -0.2498   -2.0207 0.6342 -0.2252
H7 1.4397 -0.5516 1.0407   -1.4641 -0.5448 1.0098
H8 -1.9821 0.2001 0.0036   1.9885 0.1201 0.0163
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.4856 1.3830 1.1064 2.1490 2.1423 2.1846 1.9176
C2 1.4856 2.4096 2.2598 1.1115 1.1079 1.1203 3.2317
O3 1.3830 2.4096 2.1277 2.6505 3.3491 2.8124 0.9764
H4 1.1064 2.2598 2.1277 3.1360 2.5372 2.7950 2.2237
H5 2.1490 1.1115 2.6505 3.1360 1.7982 1.7872 3.5627
H6 2.1423 1.1079 3.3491 2.5372 1.7982 1.7958 4.0492
H7 2.1846 1.1203 2.8124 2.7950 1.7872 1.7958 3.6537
H8 1.9176 3.2317 0.9764 2.2237 3.5627 4.0492 3.6537
Maximum atom distance is 4.0492Å 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 114.231
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.852 C1 C2 H6 110.541
C1 C2 H7 113.186 C1 O3 H8 107.482
C2 C1 H4 120.642 O3 C1 H4 117.019
H5 C2 H6 108.227 H5 C2 H7 106.402
H6 C2 H7 107.402

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