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Geometry for CH3CHO (Acetaldehyde) 1A' CS

1910171554
InChI=1S/C2H4O/c1-2-3/h2H,1H3 INChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N

HF/SDD


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4658 0.0000   -0.2170 -0.4121 0.0000
C2 -0.9476 -0.7023 0.0000   1.1657 0.1798 0.0000
O3 1.2157 0.3643 0.0000   -1.2454 0.2442 0.0000
H4 -0.4579 1.4526 0.0000   -0.2717 -1.4987 0.0000
H5 -0.4051 -1.6357 0.0000   1.1206 1.2585 0.0000
H6 -1.5884 -0.6560 0.8745   1.7111 -0.1598 0.8745
H7 -1.5884 -0.6560 -0.8745   1.7111 -0.1598 -0.8745
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7
C1 1.5041 1.2199 1.0879 2.1402 2.1321 2.1321
C2 1.5041 2.4120 2.2099 1.0797 1.0851 1.0851
O3 1.2199 2.4120 1.9964 2.5743 3.1094 3.1094
H4 1.0879 2.2099 1.9964 3.0888 2.5473 2.5473
H5 2.1402 1.0797 2.5743 3.0888 1.7677 1.7677
H6 2.1321 1.0851 3.1094 2.5473 1.7677 1.7489
H7 2.1321 1.0851 3.1094 2.5473 1.7677 1.7489
Maximum atom distance is 3.1094Å between atoms O3 and H6.
picture of Acetaldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 O3 124.280
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.779 C1 C2 H6 109.808
C1 C2 H7 109.808 C2 C1 H4 116.055
O3 C1 H4 119.665 H5 C2 H6 109.493
H5 C2 H7 109.493 H6 C2 H7 107.394

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