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Geometry for CH3CH2OH (Ethanol) 1A' CS

1910171554
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 INChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N

HF/CEP-121G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1742 -0.4175 0.0000   1.2166 -0.2700 0.0000
C2 0.0000 0.5535 0.0000   -0.0680 0.5493 0.0000
O3 -1.1985 -0.2017 0.0000   -1.1646 -0.3475 0.0000
H4 -1.9405 0.3862 0.0000   -1.9733 0.1448 0.0000
H5 2.1157 0.1272 0.0000   2.0840 0.3862 0.0000
H6 1.1408 -1.0523 0.8806   1.2615 -0.9041 0.8806
H7 1.1408 -1.0523 -0.8806   1.2615 -0.9041 -0.8806
H8 0.0431 1.1943 0.8813   -0.1040 1.1905 0.8813
H9 0.0431 1.1943 -0.8813   -0.1040 1.1905 -0.8813
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5237 2.3825 3.2167 1.0877 1.0861 1.0861 2.1573 2.1573
C2 1.5237 1.4166 1.9477 2.1582 2.1577 2.1577 1.0904 1.0904
O3 2.3825 1.4166 0.9467 3.3305 2.6403 2.6403 2.0657 2.0657
H4 3.2167 1.9477 0.9467 4.0645 3.5127 3.5127 2.3161 2.3161
H5 1.0877 2.1582 3.3305 4.0645 1.7655 1.7655 2.4922 2.4922
H6 1.0861 2.1577 2.6403 3.5127 1.7655 1.7612 2.5004 3.0588
H7 1.0861 2.1577 2.6403 3.5127 1.7655 1.7612 3.0588 2.5004
H8 2.1573 1.0904 2.0657 2.3161 2.4922 2.5004 3.0588 1.7625
H9 2.1573 1.0904 2.0657 2.3161 2.4922 3.0588 2.5004 1.7625
Maximum atom distance is 4.0645Å between atoms H4 and H5.
picture of Ethanol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 108.192
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.123 C1 C2 H9 110.123
C2 C1 H5 110.358 C2 C1 H6 110.415
C2 C1 H7 110.415 C2 O3 H4 109.391
O3 C2 H8 110.285 O3 C2 H9 110.285
H5 C1 H6 108.620 H5 C1 H7 108.620
H6 C1 H7 108.351 H8 C2 H9 107.838

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