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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/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 1.1273 -0.4432 -0.1314   -0.4693 1.1167 -0.1314
O2 1.8775 0.1384 -0.0775   0.0948 1.8802 -0.0775
O3 -0.9644 -0.6655 -0.0073   -0.6430 -0.9796 -0.0073
H4 2.4090 -0.1976 0.6306   -0.2534 2.4038 0.6306
C5 -1.3127 0.4709 0.0191   0.5012 -1.3014 0.0191
H6 -0.5973 1.2903 0.0219   1.3038 -0.5672 0.0219
H7 -2.3682 0.7423 0.0421   0.7971 -2.3504 0.0421
Atom - Atom Distances (Å)
  H1 O2 O3 H4 C5 H6 H7
H1 0.9508 2.1071 1.5112 2.6099 2.4501 3.6952
O2 0.9508 2.9543 0.9470 3.2089 2.7316 4.2902
O3 2.1071 2.9543 3.4650 1.1889 1.9902 1.9888
H4 1.5112 0.9470 3.4650 3.8304 3.4091 4.9043
C5 2.6099 3.2089 1.1889 3.8304 1.0878 1.0902
H6 2.4501 2.7316 1.9902 3.4091 1.0878 1.8539
H7 3.6952 4.2902 1.9888 4.9043 1.0902 1.8539
Maximum atom distance is 4.9043Å 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 105.559 H1 O3 C5 101.026
O2 H1 O3 147.614 O3 C5 H6 121.835
O3 C5 H7 121.473 H6 C5 H7 116.692

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