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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/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 1.4573 0.0000   0.0000 0.0000 1.4573
C2 0.0562 -1.4730 0.0000   0.0103 0.0552 -1.4730
H3 -1.0106 -1.7379 0.0000   -0.1862 -0.9933 -1.7379
H4 0.6323 -2.4052 0.0000   0.1165 0.6215 -2.4052
C5 0.3724 -0.6403 1.2649   1.3118 0.1330 -0.6403
C6 0.3724 -0.6403 -1.2649   -1.1746 0.5990 -0.6403
C7 -0.3659 0.7078 -1.2026   -1.2494 -0.1381 0.7078
C8 -0.3659 0.7078 1.2026   1.1147 -0.5811 0.7078
H9 0.0776 -1.1812 2.1722   2.1493 -0.3238 -1.1812
H10 0.0776 -1.1812 -2.1722   -2.1207 0.4764 -1.1812
H11 1.4504 -0.4462 1.3117   1.5564 1.1840 -0.4462
H12 1.4504 -0.4462 -1.3117   -1.0221 1.6672 -0.4462
H13 -1.4542 0.5308 -1.2277   -1.4745 -1.2032 0.5308
H14 -1.4542 0.5308 1.2277   0.9388 -1.6554 0.5308
H15 -0.0921 1.3527 -2.0417   -2.0237 0.2855 1.3527
H16 -0.0921 1.3527 2.0417   1.9898 -0.4666 1.3527
Atom - Atom Distances (Å)
  O1 C2 H3 H4 C5 C6 C7 C8 H9 H10 H11 H12 H13 H14 H15 H16
O1 2.9309 3.3512 3.9139 2.4776 2.4776 1.4635 1.4635 3.4185 3.4185 2.7290 2.7290 2.1166 2.1166 2.0464 2.0464
C2 2.9309 1.0992 1.0958 1.5470 1.5470 2.5260 2.5260 2.1918 2.1918 2.1723 2.1723 2.7935 2.7935 3.4893 3.4893
H3 3.3512 1.0992 1.7733 2.1719 2.1719 2.8006 2.8006 2.4925 2.4925 3.0733 3.0733 2.6174 2.6174 3.8163 3.8163
H4 3.9139 1.0958 1.7733 2.1869 2.1869 3.4833 3.4833 2.5543 2.5543 2.4954 2.4954 3.8054 3.8054 4.3376 4.3376
C5 2.4776 1.5470 2.1719 2.1869 2.5297 2.9070 1.5383 1.0967 3.4918 1.0964 2.7997 3.3046 2.1701 3.8886 2.1889
C6 2.4776 1.5470 2.1719 2.1869 2.5297 1.5383 2.9070 3.4918 1.0967 2.7997 1.0964 2.1701 3.3046 2.1889 3.8886
C7 1.4635 2.5260 2.8006 3.4833 2.9070 1.5383 2.4052 3.8929 2.1691 3.3094 2.1547 1.1029 2.6687 1.0931 3.3191
C8 1.4635 2.5260 2.8006 3.4833 1.5383 2.9070 2.4052 2.1691 3.8929 2.1547 3.3094 2.6687 1.1029 3.3191 1.0931
H9 3.4185 2.1918 2.4925 2.5543 1.0967 3.4918 3.8929 2.1691 4.3444 1.7791 3.8160 4.1032 2.4838 4.9200 2.5429
H10 3.4185 2.1918 2.4925 2.5543 3.4918 1.0967 2.1691 3.8929 4.3444 3.8160 1.7791 2.4838 4.1032 2.5429 4.9200
H11 2.7290 2.1723 3.0733 2.4954 1.0964 2.7997 3.3094 2.1547 1.7791 3.8160 2.6233 3.9799 3.0657 4.1061 2.4796
H12 2.7290 2.1723 3.0733 2.4954 2.7997 1.0964 2.1547 3.3094 3.8160 1.7791 2.6233 3.0657 3.9799 2.4796 4.1061
H13 2.1166 2.7935 2.6174 3.8054 3.3046 2.1701 1.1029 2.6687 4.1032 2.4838 3.9799 3.0657 2.4553 1.7870 3.6358
H14 2.1166 2.7935 2.6174 3.8054 2.1701 3.3046 2.6687 1.1029 2.4838 4.1032 3.0657 3.9799 2.4553 3.6358 1.7870
H15 2.0464 3.4893 3.8163 4.3376 3.8886 2.1889 1.0931 3.3191 4.9200 2.5429 4.1061 2.4796 1.7870 3.6358 4.0833
H16 2.0464 3.4893 3.8163 4.3376 2.1889 3.8886 3.3191 1.0931 2.5429 4.9200 2.4796 4.1061 3.6358 1.7870 4.0833
Maximum atom distance is 4.9200Å 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 111.227 O1 C8 C5 111.227
C2 C5 C8 109.911 C2 C6 C7 109.911
C5 C2 C6 109.691 C7 O1 C8 110.517
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C7 H13 110.337 O1 C7 H15 105.427
O1 C8 H14 110.337 O1 C8 H16 105.427
C2 C5 H9 110.856 C2 C5 H11 109.338
C2 C6 H10 110.856 C2 C6 H12 109.338
H3 C2 H4 107.777 H3 C2 C5 109.152
H3 C2 C6 109.152 H4 C2 C5 110.513
H4 C2 C6 110.513 C5 C8 H14 109.391
C5 C8 H16 111.457 C6 C7 H13 109.391
C6 C7 H15 111.457 C7 C6 H10 109.678
C7 C6 H12 108.573 C8 C5 H9 109.678
C8 C5 H11 108.573 H9 C5 H11 108.436
H10 C6 H12 108.436 H13 C7 H15 108.928
H14 C8 H16 108.928

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