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Geometry for C3H6O2 (1,3-Dioxolane) 1A C2

1910171554
InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2 INChIKey=WNXJIVFYUVYPPR-UHFFFAOYSA-N

HF/6-31G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.2439   1.2439 0.0000 0.0000
C2 -0.2542 0.7187 -0.9727   -0.9727 0.7415 -0.1773
C3 0.2542 -0.7187 -0.9727   -0.9727 -0.7415 0.1773
O4 0.0000 1.1417 0.3833   0.3833 1.1354 0.1200
O5 0.0000 -1.1417 0.3833   0.3833 -1.1354 -0.1200
H6 0.8897 0.0279 1.8490   1.8490 -0.0658 0.8877
H7 -0.8897 -0.0279 1.8490   1.8490 0.0658 -0.8877
H8 -1.3140 0.7728 -1.1793   -1.1793 0.9066 -1.2255
H9 1.3140 -0.7728 -1.1793   -1.1793 -0.9066 1.2255
H10 -0.2833 -1.3783 -1.6317   -1.6317 -1.3409 -0.4266
H11 0.2833 1.3783 -1.6317   -1.6317 1.3409 0.4266
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9 H10 H11
C1 2.3440 2.3440 1.4298 1.4298 1.0763 1.0763 2.8628 2.8628 3.2015 3.2015
C2 2.3440 1.5247 1.4430 2.3162 3.1221 2.9871 1.0811 2.1741 2.1984 1.0763
C3 2.3440 1.5247 2.3162 1.4430 2.9871 3.1221 2.1741 1.0811 1.0763 2.1984
O4 1.4298 1.4430 2.3162 2.2835 2.0446 2.0755 2.0747 2.7989 3.2390 2.0486
O5 1.4298 2.3162 1.4430 2.2835 2.0755 2.0446 2.7989 2.0747 2.0486 3.2390
H6 1.0763 3.1221 2.9871 2.0446 2.0755 1.7803 3.8186 3.1609 3.9330 3.7824
H7 1.0763 2.9871 3.1221 2.0755 2.0446 1.7803 3.1609 3.8186 3.7824 3.9330
H8 2.8628 1.0811 2.1741 2.0747 2.7989 3.8186 3.1609 3.0488 2.4278 1.7672
H9 2.8628 2.1741 1.0811 2.7989 2.0747 3.1609 3.8186 3.0488 1.7672 2.4278
H10 3.2015 2.1984 1.0763 3.2390 2.0486 3.9330 3.7824 2.4278 1.7672 2.8142
H11 3.2015 1.0763 2.1984 2.0486 3.2390 3.7824 3.9330 1.7672 2.4278 2.8142
Maximum atom distance is 3.9330Å between atoms H6 and H10.
picture of 1,3-Dioxolane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O4 C2 109.361 C1 O5 C3 109.361
C2 C3 O5 102.570 C3 C2 O4 102.570
O4 C1 O5 105.985
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C3 H9 111.964 C2 C3 H10 114.280
C3 C2 H8 111.964 C3 C2 H11 114.280
O4 C1 H6 108.523 O4 C1 H7 111.042
O4 C2 H8 109.733 O4 C2 H11 107.926
O5 C1 H6 111.042 O5 C1 H7 108.523
O5 C3 H9 109.733 O5 C3 H10 107.926
H6 C1 H7 111.590 H8 C2 H11 109.996
H9 C3 H10 109.996

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