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Geometry for C4H6O (Furan, 2,5-dihydro-) 1A1 C2V

1910171554
InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2 INChIKey=ARGCQEVBJHPOGB-UHFFFAOYSA-N

CID/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 1.1787   1.1783 -0.0324 0.0000
C2 0.0000 1.1669 0.3715   0.3714 -0.0102 1.1669
C3 0.0000 0.6605 -1.0400   -1.0396 0.0286 0.6605
C4 0.0000 -0.6605 -1.0400   -1.0396 0.0286 -0.6605
C5 0.0000 -1.1669 0.3715   0.3714 -0.0102 -1.1669
H6 0.8823 1.7706 0.5992   0.6232 0.8655 1.7706
H7 -0.8823 1.7706 0.5992   0.5747 -0.8984 1.7706
H8 -0.8823 -1.7706 0.5992   0.5747 -0.8984 -1.7706
H9 0.8823 -1.7706 0.5992   0.6232 0.8655 -1.7706
H10 0.0000 1.3089 -1.9022   -1.9015 0.0523 1.3089
H11 0.0000 -1.3089 -1.9022   -1.9015 0.0523 -1.3089
Atom - Atom Distances (Å)
  O1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
O1 1.4189 2.3150 2.3150 1.4189 2.0614 2.0614 2.0614 2.0614 3.3475 3.3475
C2 1.4189 1.4996 2.3091 2.3338 1.0930 1.0930 3.0755 3.0755 2.2781 3.3615
C3 2.3150 1.4996 1.3211 2.3091 2.1674 2.1674 3.0620 3.0620 1.0788 2.1499
C4 2.3150 2.3091 1.3211 1.4996 3.0620 3.0620 2.1674 2.1674 2.1499 1.0788
C5 1.4189 2.3338 2.3091 1.4996 3.0755 3.0755 1.0930 1.0930 3.3615 2.2781
H6 2.0614 1.0930 2.1674 3.0620 3.0755 1.7646 3.9564 3.5412 2.6923 4.0643
H7 2.0614 1.0930 2.1674 3.0620 3.0755 1.7646 3.5412 3.9564 2.6923 4.0643
H8 2.0614 3.0755 3.0620 2.1674 1.0930 3.9564 3.5412 1.7646 4.0643 2.6923
H9 2.0614 3.0755 3.0620 2.1674 1.0930 3.5412 3.9564 1.7646 4.0643 2.6923
H10 3.3475 2.2781 1.0788 2.1499 3.3615 2.6923 2.6923 4.0643 4.0643 2.6178
H11 3.3475 3.3615 2.1499 1.0788 2.2781 4.0643 4.0643 2.6923 2.6923 2.6178
Maximum atom distance is 4.0643Å between atoms H6 and H11.
picture of Furan, 2,5-dihydro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 C3 104.941 O1 C5 C4 104.941
C2 O1 C5 110.649 C2 C3 C4 109.735
C3 C4 C5 109.735
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H6 109.616 O1 C2 H7 109.616
O1 C5 H8 109.616 O1 C5 H9 109.616
C2 C3 H10 123.322 C3 C2 H6 112.493
C3 C2 H7 112.493 C3 C4 H11 126.944
C4 C3 H10 126.944 C4 C5 H8 112.493
C4 C5 H9 112.493 C5 C4 H11 123.322
H6 C2 H7 107.645 H8 C5 H9 107.645

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