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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

HF/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 -0.6476 -1.2439 0.0000   -1.3774 0.0000 -0.2637
C2 0.6231 1.3177 0.0000   1.4411 0.0000 0.2189
H3 1.6844 1.0829 0.0000   1.5205 0.0000 1.3030
H4 0.5440 2.3985 0.0000   2.4538 0.0000 -0.1669
C5 -0.0230 0.7236 1.2498   0.6866 1.2498 -0.2296
C6 -0.0230 0.7236 -1.2498   0.6866 -1.2498 -0.2296
C7 -0.0230 -0.7941 -1.1738   -0.7673 -1.1738 0.2057
C8 -0.0230 -0.7941 1.1738   -0.7673 1.1738 0.2057
H9 0.4952 1.0428 2.1474   1.1410 2.1474 0.1753
H10 0.4952 1.0428 -2.1474   1.1410 -2.1474 0.1753
H11 -1.0490 1.0675 1.3291   0.7218 1.3291 -1.3111
H12 -1.0490 1.0675 -1.3291   0.7218 -1.3291 -1.3111
H13 0.9973 -1.1720 -1.1986   -0.8367 -1.1986 1.2915
H14 0.9973 -1.1720 1.1986   -0.8367 1.1986 1.2915
H15 -0.5605 -1.2339 -2.0013   -1.3428 -2.0013 -0.1831
H16 -0.5605 -1.2339 2.0013   -1.3428 2.0013 -0.1831
Atom - Atom Distances (Å)
  O1 C2 H3 H4 C5 C6 C7 C8 H9 H10 H11 H12 H13 H14 H15 H16
O1 2.8595 3.2942 3.8324 2.4131 2.4131 1.4037 1.4037 3.3387 3.3387 2.6963 2.6963 2.0366 2.0366 2.0032 2.0032
C2 2.8595 1.0870 1.0837 1.5272 1.5272 2.5010 2.5010 2.1687 2.1687 2.1506 2.1506 2.7885 2.7885 3.4521 3.4521
H3 3.2942 1.0870 1.7411 2.1462 2.1462 2.7957 2.7957 2.4550 2.4550 3.0394 3.0394 2.6445 2.6445 3.7963 3.7963
H4 3.8324 1.0837 1.7411 2.1654 2.1654 3.4485 3.4485 2.5401 2.5401 2.4649 2.4649 3.7935 3.7935 4.2918 4.2918
C5 2.4131 1.5272 2.1462 2.1654 2.4997 2.8596 1.5195 1.0845 3.4514 1.0850 2.7968 3.2602 2.1533 3.8328 2.1646
C6 2.4131 1.5272 2.1462 2.1654 2.4997 1.5195 2.8596 3.4514 1.0845 2.7968 1.0850 2.1533 3.2602 2.1646 3.8328
C7 1.4037 2.5010 2.7957 3.4485 2.8596 1.5195 2.3477 3.8306 2.1425 3.2837 2.1312 1.0883 2.6100 1.0803 3.2502
C8 1.4037 2.5010 2.7957 3.4485 1.5195 2.8596 2.3477 2.1425 3.8306 2.1312 3.2837 2.6100 1.0883 3.2502 1.0803
H9 3.3387 2.1687 2.4550 2.5401 1.0845 3.4514 3.8306 2.1425 4.2949 1.7478 3.8042 4.0439 2.4613 4.8487 2.5138
H10 3.3387 2.1687 2.4550 2.5401 3.4514 1.0845 2.1425 3.8306 4.2949 3.8042 1.7478 2.4613 4.0439 2.5138 4.8487
H11 2.6963 2.1506 3.0394 2.4649 1.0850 2.7968 3.2837 2.1312 1.7478 3.8042 2.6583 3.9487 3.0364 4.0776 2.4468
H12 2.6963 2.1506 3.0394 2.4649 2.7968 1.0850 2.1312 3.2837 3.8042 1.7478 2.6583 3.0364 3.9487 2.4468 4.0776
H13 2.0366 2.7885 2.6445 3.7935 3.2602 2.1533 1.0883 2.6100 4.0439 2.4613 3.9487 3.0364 2.3972 1.7535 3.5595
H14 2.0366 2.7885 2.6445 3.7935 2.1533 3.2602 2.6100 1.0883 2.4613 4.0439 3.0364 3.9487 2.3972 3.5595 1.7535
H15 2.0032 3.4521 3.7963 4.2918 3.8328 2.1646 1.0803 3.2502 4.8487 2.5138 4.0776 2.4468 1.7535 3.5595 4.0025
H16 2.0032 3.4521 3.7963 4.2918 2.1646 3.8328 3.2502 1.0803 2.5138 4.8487 2.4468 4.0776 3.5595 1.7535 4.0025
Maximum atom distance is 4.8487Å 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 111.215 O1 C8 C5 111.215
C2 C5 C8 110.342 C2 C6 C7 110.342
C5 C2 C6 109.842 C7 O1 C8 113.489
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C7 H13 108.960 O1 C7 H15 106.773
O1 C8 H14 108.960 O1 C8 H16 106.773
C2 C5 H9 111.142 C2 C5 H11 109.664
C2 C6 H10 111.142 C2 C6 H12 109.664
H3 C2 H4 106.665 H3 C2 C5 109.205
H3 C2 C6 109.205 H4 C2 C5 110.923
H4 C2 C6 110.923 C5 C8 H14 110.226
C5 C8 H16 111.613 C6 C7 H13 110.226
C6 C7 H15 111.613 C7 C6 H10 109.595
C7 C6 H12 108.677 C8 C5 H9 109.595
C8 C5 H11 108.677 H9 C5 H11 107.341
H10 C6 H12 107.341 H13 C7 H15 107.918
H14 C8 H16 107.918

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