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Geometry for H2OH2CO (water formaldehyde dimer) 1A C1

1910171554
InChI=1S/CH3O.H2O/c1-2;/h2H,1H2;1H2 INChIKey=WYLNZMAZETZTPE-UHFFFAOYSA-N

HF_cp/aug-cc-pVTZ


Point group is C1
Atom Internal
x (Å) y (Å) z (Å)
H1 1.1700 -0.3925 -0.0001
O2 1.9228 0.1785 -0.0002
O3 -0.9446 -0.6517 -0.0000
H4 2.6825 -0.3753 0.0011
C5 -1.4038 0.4375 0.0001
H6 -0.7724 1.3266 0.0003
H7 -2.4826 0.6019 -0.0001
Atom - Atom Distances (Å)
  H1 O2 O3 H4 C5 H6 H7
H1 0.9448 2.1304 1.5126 2.7043 2.5938 3.7855
O2 0.9448 2.9851 0.9402 3.3367 2.9295 4.4257
O3 2.1304 2.9851 3.6376 1.1821 1.9857 1.9842
H4 1.5126 0.9402 3.6376 4.1664 3.8513 5.2567
C5 2.7043 3.3367 1.1821 4.1664 1.0905 1.0912
H6 2.5938 2.9295 1.9857 3.8513 1.0905 1.8574
H7 3.7855 4.4257 1.9842 5.2567 1.0912 1.8574
Maximum atom distance is 5.2567Å between atoms H4 and H7.
picture of water formaldehyde dimer
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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