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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

QCISD/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0906 0.5177 -0.1129   -0.0700 0.5264 -0.0831
C2 1.2273 -0.1673 0.0126   1.2198 -0.2156 0.0034
O3 -1.1659 -0.3443 0.0264   -1.1785 -0.2994 0.0062
H4 -0.2249 1.5246 0.2904   -0.1661 1.5131 0.3769
H5 1.2794 -1.0162 -0.6806   1.2406 -1.0249 -0.7371
H6 2.0419 0.5270 -0.2237   2.0615 0.4587 -0.1925
H7 1.3945 -0.5598 1.0295   1.3689 -0.6717 0.9963
H8 -1.9840 0.1763 -0.0249   -1.9756 0.2548 -0.0155
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.4905 1.3851 1.0929 2.1335 2.1354 2.1613 1.9260
C2 1.4905 2.3997 2.2469 1.0972 1.0961 1.1028 3.2298
O3 1.3851 2.3997 2.1089 2.6326 3.3334 2.7583 0.9711
H4 1.0929 2.2469 2.1089 3.1083 2.5295 2.7410 2.2387
H5 2.1335 1.0972 2.6326 3.1083 1.7809 1.7737 3.5358
H6 2.1354 1.0961 3.3334 2.5295 1.7809 1.7806 4.0461
H7 2.1613 1.1028 2.7583 2.7410 1.7737 1.7806 3.6149
H8 1.9260 3.2298 0.9711 2.2387 3.5358 4.0461 3.6149
Maximum atom distance is 4.0461Å 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 113.075
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.147 C1 C2 H6 110.358
C1 C2 H7 112.037 C1 O3 H8 108.372
C2 C1 H4 120.068 O3 C1 H4 116.154
H5 C2 H6 108.574 H5 C2 H7 107.460
H6 C2 H7 108.150

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