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Geometry for CH3CH2OH (Ethanol) 1A' CS

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

CCD/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1687 -0.4200 0.0000   -1.2053 0.2995 0.0000
C2 0.0000 0.5565 0.0000   0.0564 -0.5537 0.0000
O3 -1.1975 -0.2066 0.0000   1.1704 0.3268 0.0000
H4 -1.9317 0.4177 0.0000   1.9641 -0.2199 0.0000
H5 2.1312 0.1212 0.0000   -2.1080 -0.3364 0.0000
H6 1.1242 -1.0654 0.8943   -1.2263 0.9461 0.8943
H7 1.1242 -1.0654 -0.8943   -1.2263 0.9461 -0.8943
H8 0.0598 1.2127 0.8943   0.0634 -1.2126 0.8943
H9 0.0598 1.2127 -0.8943   0.0634 -1.2126 -0.8943
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5230 2.3758 3.2116 1.1042 1.1038 1.1038 2.1669 2.1669
C2 1.5230 1.4199 1.9367 2.1752 2.1666 2.1666 1.1108 1.1108
O3 2.3758 1.4199 0.9637 3.3448 2.6320 2.6320 2.0964 2.0964
H4 3.2116 1.9367 0.9637 4.0737 3.5125 3.5125 2.3233 2.3233
H5 1.1042 2.1752 3.3448 4.0737 1.7950 1.7950 2.5064 2.5064
H6 1.1038 2.1666 2.6320 3.5125 1.7950 1.7887 2.5145 3.0858
H7 1.1038 2.1666 2.6320 3.5125 1.7950 1.7887 3.0858 2.5145
H8 2.1669 1.1108 2.0964 2.3233 2.5064 2.5145 3.0858 1.7886
H9 2.1669 1.1108 2.0964 2.3233 2.5064 3.0858 2.5145 1.7886
Maximum atom distance is 4.0737Å 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 107.612
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 109.724 C1 C2 H9 109.724
C2 C1 H5 110.768 C2 C1 H6 110.116
C2 C1 H7 110.116 C2 O3 H4 107.121
O3 C2 H8 111.274 O3 C2 H9 111.274
H5 C1 H6 108.771 H5 C1 H7 108.771
H6 C1 H7 108.240 H8 C2 H9 107.234

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