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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/aug-cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 1.1700 -0.3925 -0.0001   1.1847 0.3455 -0.0001
O2 1.9228 0.1785 -0.0002   1.9141 -0.2551 -0.0001
O3 -0.9446 -0.6517 -0.0000   -0.9178 0.6889 -0.0000
H4 2.6825 -0.3753 0.0011   2.6954 0.2679 0.0012
C5 -1.4038 0.4375 0.0001   -1.4202 -0.3811 0.0000
H6 -0.7724 1.3266 0.0003   -0.8247 -1.2947 0.0002
H7 -2.4826 0.6019 -0.0001   -2.5047 -0.5023 -0.0002
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
H1 O2 H4 106.731 H1 O3 C5 105.874
O2 H1 O3 149.806 O3 C5 H6 121.754
O3 C5 H7 121.525 H6 C5 H7 116.722

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