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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

CCD/6-31G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0923 0.5151 -0.1117   0.1124 0.5166 -0.0829
C2 1.2262 -0.1669 0.0124   -1.2317 -0.1202 -0.0000
O3 -1.1636 -0.3420 0.0260   1.1496 -0.3873 0.0102
H4 -0.2230 1.5175 0.2860   0.2793 1.4899 0.3697
H5 1.2777 -1.0118 -0.6746   -1.3121 -0.9235 -0.7327
H6 2.0340 0.5240 -0.2248   -2.0115 0.6132 -0.2010
H7 1.3923 -0.5527 1.0239   -1.4172 -0.5544 0.9883
H8 -1.9752 0.1700 -0.0235   1.9803 0.0953 -0.0089
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.4896 1.3789 1.0863 2.1273 2.1293 2.1527 1.9163
C2 1.4896 2.3962 2.2388 1.0902 1.0892 1.0953 3.2192
O3 1.3789 2.3962 2.1001 2.6267 3.3223 2.7519 0.9609
H4 1.0863 2.2388 2.1001 3.0939 2.5184 2.7276 2.2320
H5 2.1273 1.0902 2.6267 3.0939 1.7701 1.7632 3.5217
H6 2.1293 1.0892 3.3223 2.5184 1.7701 1.7694 4.0299
H7 2.1527 1.0953 2.7519 2.7276 1.7632 1.7694 3.5999
H8 1.9163 3.2192 0.9609 2.2320 3.5217 4.0299 3.5999
Maximum atom distance is 4.0299Å 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 113.246
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.132 C1 C2 H6 110.356
C1 C2 H7 111.869 C1 O3 H8 108.648
C2 C1 H4 119.903 O3 C1 H4 116.331
H5 C2 H6 108.619 H5 C2 H7 107.571
H6 C2 H7 108.187

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