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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/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0940 0.5082 -0.1051   -0.0741 0.5162 -0.0782
C2 1.2257 -0.1642 0.0125   1.2184 -0.2118 0.0035
O3 -1.1626 -0.3411 0.0218   -1.1749 -0.2966 0.0041
H4 -0.2317 1.5189 0.2599   -0.1734 1.5110 0.3395
H5 1.2889 -1.0020 -0.6823   1.2504 -1.0137 -0.7345
H6 2.0282 0.5352 -0.2144   2.0477 0.4671 -0.1865
H7 1.3937 -0.5599 1.0204   1.3693 -0.6662 0.9891
H8 -1.9688 0.1729 -0.0018   -1.9606 0.2487 0.0078
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.4857 1.3709 1.0835 2.1274 2.1252 2.1496 1.9074
C2 1.4857 2.3949 2.2401 1.0903 1.0885 1.0957 3.2123
O3 1.3709 2.3949 2.0936 2.6348 3.3174 2.7532 0.9564
H4 1.0835 2.2401 2.0936 3.0911 2.5100 2.7462 2.2131
H5 2.1274 1.0903 2.6348 3.0911 1.7688 1.7623 3.5293
H6 2.1252 1.0885 3.3174 2.5100 1.7688 1.7682 4.0190
H7 2.1496 1.0957 2.7532 2.7462 1.7623 1.7682 3.5900
H8 1.9074 3.2123 0.9564 2.2131 3.5293 4.0190 3.5900
Maximum atom distance is 4.0190Å 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 113.873
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.413 C1 C2 H6 110.340
C1 C2 H7 111.866 C1 O3 H8 108.774
C2 C1 H4 120.561 O3 C1 H4 116.594
H5 C2 H6 108.557 H5 C2 H7 107.448
H6 C2 H7 108.099

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