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Geometry for C5H10O (2H-Pyran, tetrahydro-) 1A' C1

1910171554
InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2 INChIKey=DHXVGJBLRPWPCS-UHFFFAOYSA-N

B3PW91/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 1.4245 0.0000   0.0000 0.0000 1.4245
C2 0.0645 -1.4631 0.0000   -0.0189 0.0617 -1.4631
H3 -0.9962 -1.7560 0.0000   0.2925 -0.9523 -1.7560
H4 0.6474 -2.3924 0.0000   -0.1900 0.6188 -2.3924
C5 0.3581 -0.6350 1.2545   1.0941 0.7106 -0.6350
C6 0.3581 -0.6350 -1.2545   -1.3043 -0.0260 -0.6350
C7 -0.3532 0.7130 -1.1718   -1.0165 -0.6816 0.7130
C8 -0.3532 0.7130 1.1718   1.2238 0.0064 0.7130
H9 0.0436 -1.1668 2.1619   2.0539 0.6764 -1.1668
H10 0.0436 -1.1668 -2.1619   -2.0795 -0.5930 -1.1668
H11 1.4386 -0.4572 1.3377   0.8564 1.7679 -0.4572
H12 1.4386 -0.4572 -1.3377   -1.7011 0.9825 -0.4572
H13 -1.4482 0.5604 -1.2016   -0.7236 -1.7371 0.5604
H14 -1.4482 0.5604 1.2016   1.5738 -1.0316 0.5604
H15 -0.0826 1.3606 -2.0122   -1.8993 -0.6696 1.3606
H16 -0.0826 1.3606 2.0122   1.9478 0.5118 1.3606
Atom - Atom Distances (Å)
  O1 C2 H3 H4 C5 C6 C7 C8 H9 H10 H11 H12 H13 H14 H15 H16
O1 2.8883 3.3329 3.8714 2.4379 2.4379 1.4156 1.4156 3.3750 3.3750 2.7203 2.7203 2.0707 2.0707 2.0149 2.0149
C2 2.8883 1.1004 1.0969 1.5316 1.5316 2.5066 2.5066 2.1823 2.1823 2.1655 2.1655 2.7976 2.7976 3.4704 3.4704
H3 3.3329 1.1004 1.7625 2.1598 2.1598 2.8076 2.8076 2.4703 2.4703 3.0667 3.0667 2.6484 2.6484 3.8206 3.8206
H4 3.8714 1.0969 1.7625 2.1785 2.1785 3.4666 3.4666 2.5574 2.5574 2.4820 2.4820 3.8150 3.8150 4.3204 4.3204
C5 2.4379 1.5316 2.1598 2.1785 2.5090 2.8653 1.5264 1.0978 3.4719 1.0982 2.8140 3.2748 2.1666 3.8533 2.1795
C6 2.4379 1.5316 2.1598 2.1785 2.5090 1.5264 2.8653 3.4719 1.0978 2.8140 1.0982 2.1666 3.2748 2.1795 3.8533
C7 1.4156 2.5066 2.8076 3.4666 2.8653 1.5264 2.3436 3.8477 2.1614 3.2981 2.1465 1.1060 2.6183 1.0949 3.2604
C8 1.4156 2.5066 2.8076 3.4666 1.5264 2.8653 2.3436 2.1614 3.8477 2.1465 3.2981 2.6183 1.1060 3.2604 1.0949
H9 3.3750 2.1823 2.4703 2.5574 1.0978 3.4719 3.8477 2.1614 4.3239 1.7689 3.8337 4.0648 2.4761 4.8813 2.5350
H10 3.3750 2.1823 2.4703 2.5574 3.4719 1.0978 2.1614 3.8477 4.3239 3.8337 1.7689 2.4761 4.0648 2.5350 4.8813
H11 2.7203 2.1655 3.0667 2.4820 1.0982 2.8140 3.2981 2.1465 1.7689 3.8337 2.6754 3.9771 3.0640 4.1037 2.4644
H12 2.7203 2.1655 3.0667 2.4820 2.8140 1.0982 2.1465 3.2981 3.8337 1.7689 2.6754 3.0640 3.9771 2.4644 4.1037
H13 2.0707 2.7976 2.6484 3.8150 3.2748 2.1666 1.1060 2.6183 4.0648 2.4761 3.9771 3.0640 2.4033 1.7783 3.5825
H14 2.0707 2.7976 2.6484 3.8150 2.1666 3.2748 2.6183 1.1060 2.4761 4.0648 3.0640 3.9771 2.4033 3.5825 1.7783
H15 2.0149 3.4704 3.8206 4.3204 3.8533 2.1795 1.0949 3.2604 4.8813 2.5350 4.1037 2.4644 1.7783 3.5825 4.0244
H16 2.0149 3.4704 3.8206 4.3204 2.1795 3.8533 3.2604 1.0949 2.5350 4.8813 2.4644 4.1037 3.5825 1.7783 4.0244
Maximum atom distance is 4.8813Å between atoms H9 and H15.
picture of 2H-Pyran, tetrahydro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C7 C6 111.868 O1 C8 C5 111.868
C2 C5 C8 110.110 C2 C6 C7 110.110
C5 C2 C6 109.986 C7 O1 C8 111.737
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C7 H13 109.797 O1 C7 H15 106.051
O1 C8 H14 109.797 O1 C8 H16 106.051
C2 C5 H9 111.112 C2 C5 H11 109.765
C2 C6 H10 111.112 C2 C6 H12 109.765
H3 C2 H4 106.659 H3 C2 C5 109.189
H3 C2 C6 109.189 H4 C2 C5 110.868
H4 C2 C6 110.868 C5 C8 H14 109.755
C5 C8 H16 111.441 C6 C7 H13 109.755
C6 C7 H15 111.441 C7 C6 H10 109.828
C7 C6 H12 108.641 C8 C5 H9 109.828
C8 C5 H11 108.641 H9 C5 H11 107.312
H10 C6 H12 107.312 H13 C7 H15 107.792
H14 C8 H16 107.792

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