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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

B3LYP/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 1.4660 0.0000   0.0000 0.0000 1.4660
C2 0.0620 -1.4749 0.0000   0.0115 0.0610 -1.4749
H3 -1.0015 -1.7676 0.0000   -0.1856 -0.9841 -1.7676
H4 0.6470 -2.4055 0.0000   0.1199 0.6358 -2.4055
C5 0.3677 -0.6421 1.2779   1.3239 0.1244 -0.6421
C6 0.3677 -0.6421 -1.2779   -1.1876 0.5982 -0.6421
C7 -0.3539 0.7249 -1.2215   -1.2660 -0.1213 0.7249
C8 -0.3539 0.7249 1.2215   1.1348 -0.5742 0.7249
H9 0.0558 -1.1868 2.1820   2.1545 -0.3497 -1.1868
H10 0.0558 -1.1868 -2.1820   -2.1339 0.4593 -1.1868
H11 1.4509 -0.4678 1.3563   1.6017 1.1744 -0.4678
H12 1.4509 -0.4678 -1.3563   -1.0638 1.6772 -0.4678
H13 -1.4506 0.5844 -1.2551   -1.5022 -1.1928 0.5844
H14 -1.4506 0.5844 1.2551   0.9645 -1.6581 0.5844
H15 -0.0581 1.3774 -2.0495   -2.0248 0.3228 1.3774
H16 -0.0581 1.3774 2.0495   2.0032 -0.4370 1.3774
Atom - Atom Distances (Å)
  O1 C2 H3 H4 C5 C6 C7 C8 H9 H10 H11 H12 H13 H14 H15 H16
O1 2.9416 3.3851 3.9252 2.4925 2.4925 1.4720 1.4720 3.4353 3.4353 2.7721 2.7721 2.1111 2.1111 2.0523 2.0523
C2 2.9416 1.1030 1.0991 1.5556 1.5556 2.5504 2.5504 2.2010 2.2010 2.1869 2.1869 2.8468 2.8468 3.5144 3.5144
H3 3.3851 1.1030 1.7675 2.1850 2.1850 2.8503 2.8503 2.4932 2.4932 3.0892 3.0892 2.7035 2.7035 3.8706 3.8706
H4 3.9252 1.0991 1.7675 2.1955 2.1955 3.5061 3.5061 2.5683 2.5683 2.4980 2.4980 3.8619 3.8619 4.3598 4.3598
C5 2.4925 1.5556 2.1850 2.1955 2.5557 2.9388 1.5468 1.1006 3.5163 1.1000 2.8535 3.3506 2.1934 3.9155 2.2035
C6 2.4925 1.5556 2.1850 2.1955 2.5557 1.5468 2.9388 3.5163 1.1006 2.8535 1.1000 2.1934 3.3506 2.2035 3.9155
C7 1.4720 2.5504 2.8503 3.5061 2.9388 1.5468 2.4431 3.9251 2.1782 3.3653 2.1675 1.1062 2.7122 1.0949 3.3486
C8 1.4720 2.5504 2.8503 3.5061 1.5468 2.9388 2.4431 2.1782 3.9251 2.1675 3.3653 2.7122 1.1062 3.3486 1.0949
H9 3.4353 2.2010 2.4932 2.5683 1.1006 3.5163 3.9251 2.1782 4.3640 1.7735 3.8708 4.1497 2.5030 4.9491 2.5701
H10 3.4353 2.2010 2.4932 2.5683 3.5163 1.1006 2.1782 3.9251 4.3640 3.8708 1.7735 2.5030 4.1497 2.5701 4.9491
H11 2.7721 2.1869 3.0892 2.4980 1.1000 2.8535 3.3653 2.1675 1.7735 3.8708 2.7125 4.0429 3.0881 4.1571 2.4825
H12 2.7721 2.1869 3.0892 2.4980 2.8535 1.1000 2.1675 3.3653 3.8708 1.7735 2.7125 3.0881 4.0429 2.4825 4.1571
H13 2.1111 2.8468 2.7035 3.8619 3.3506 2.1934 1.1062 2.7122 4.1497 2.5030 4.0429 3.0881 2.5102 1.7885 3.6727
H14 2.1111 2.8468 2.7035 3.8619 2.1934 3.3506 2.7122 1.1062 2.5030 4.1497 3.0881 4.0429 2.5102 3.6727 1.7885
H15 2.0523 3.5144 3.8706 4.3598 3.9155 2.2035 1.0949 3.3486 4.9491 2.5701 4.1571 2.4825 1.7885 3.6727 4.0991
H16 2.0523 3.5144 3.8706 4.3598 2.2035 3.9155 3.3486 1.0949 2.5701 4.9491 2.4825 4.1571 3.6727 1.7885 4.0991
Maximum atom distance is 4.9491Å 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 111.287 O1 C8 C5 111.287
C2 C5 C8 110.583 C2 C6 C7 110.583
C5 C2 C6 110.463 C7 O1 C8 112.173
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C7 H13 109.116 O1 C7 H15 105.223
O1 C8 H14 109.116 O1 C8 H16 105.223
C2 C5 H9 110.746 C2 C5 H11 109.686
C2 C6 H10 110.746 C2 C6 H12 109.686
H3 C2 H4 106.767 H3 C2 C5 109.359
H3 C2 C6 109.359 H4 C2 C5 110.406
H4 C2 C6 110.406 C5 C8 H14 110.435
C5 C8 H16 111.909 C6 C7 H13 110.435
C6 C7 H15 111.909 C7 C6 H10 109.574
C7 C6 H12 108.780 C8 C5 H9 109.574
C8 C5 H11 108.780 H9 C5 H11 107.396
H10 C6 H12 107.396 H13 C7 H15 108.697
H14 C8 H16 108.697

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