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Geometry for C5H4O2 (furfural) 1A' OCCO trans

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InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H INChIKey=HYBBIBNJHNGZAN-UHFFFAOYSA-N

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Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 1.2375 -0.2795 0.0000   -0.6505 1.0893 0.0000
C2 1.0636 -1.6073 0.0000   -1.8583 0.5110 0.0000
C3 -0.2558 -1.9245 0.0000   -1.7495 -0.8416 0.0000
C4 0.0000 0.2823 0.0000   0.2683 0.0878 0.0000
C5 -0.9518 -0.6891 0.0000   -0.3589 -1.1189 0.0000
C6 -0.0687 1.7367 0.0000   1.6719 0.4747 0.0000
O7 -1.1011 2.3557 0.0000   2.5813 -0.3140 0.0000
H8 1.9582 -2.2040 0.0000   -2.7036 1.1757 0.0000
H9 -0.6737 -2.9153 0.0000   -2.5613 -1.5469 0.0000
H10 -2.0140 -0.5204 0.0000   0.1316 -2.0759 0.0000
H11 0.9148 2.2422 0.0000   1.8466 1.5667 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 C4 C5 C6 O7 H8 H9 H10 H11
O1 1.3391 2.2217 1.3591 2.2273 2.4023 3.5233 2.0549 3.2558 3.2604 2.5423
C2 1.3391 1.3570 2.1683 2.2147 3.5304 4.5157 1.0753 2.1746 3.2638 3.8524
C3 2.2217 1.3570 2.2215 1.4179 3.6659 4.3628 2.2316 1.0754 2.2500 4.3280
C4 1.3591 2.1683 2.2215 1.3599 1.4560 2.3477 3.1647 3.2678 2.1680 2.1629
C5 2.2273 2.2147 1.4179 1.3599 2.5815 3.0484 3.2806 2.2435 1.0755 3.4751
C6 2.4023 3.5304 3.6659 1.4560 2.5815 1.2038 4.4313 4.6911 2.9797 1.1058
O7 3.5233 4.5157 4.3628 2.3477 3.0484 1.2038 5.4909 5.2883 3.0175 2.0191
H8 2.0549 1.0753 2.2316 3.1647 3.2806 4.4313 5.4909 2.7263 4.3142 4.5670
H9 3.2558 2.1746 1.0754 3.2678 2.2435 4.6911 5.2883 2.7263 2.7444 5.3966
H10 3.2604 3.2638 2.2500 2.1680 1.0755 2.9797 3.0175 4.3142 2.7444 4.0261
H11 2.5423 3.8524 4.3280 2.1629 3.4751 1.1058 2.0191 4.5670 5.3966 4.0261
Maximum atom distance is 5.4909Å between atoms O7 and H8.
picture of furfural
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 C3 110.983 O1 C4 C5 110.002
O1 C4 C6 117.120 C2 O1 C4 106.950
C2 C3 C5 105.877 C3 C5 C4 106.189
C4 C6 O7 123.650 C5 C4 C6 132.878
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H8 116.236 C2 C3 H9 126.385
C3 C2 H8 132.781 C3 C5 H10 128.414
C4 C5 H10 125.397 C4 C6 H11 114.502
C5 C3 H9 127.739 O7 C6 H11 121.848

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