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Geometry for C5H10O (2-methylbutyraldehyde) 1A C1

1910171554
InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1 INChIKey=BYGQBDHUGHBGMD-RXMQYKEDSA-N

HF/LANL2DZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3726 -0.7052 0.2070   1.3653 -0.7190 0.2081
C2 -0.0891 0.0753 0.3971   0.0924 0.0794 0.3955
C3 1.0617 -0.6875 -0.3089   -1.0717 -0.6786 -0.2934
C4 2.4611 -0.1427 0.0195   -2.4624 -0.1126 0.0362
C5 -0.2332 1.5343 -0.0562   0.2513 1.5305 -0.0780
O6 -2.4143 -0.2528 -0.2386   2.4096 -0.2852 -0.2497
H7 -1.3264 -1.7533 0.5017   1.3083 -1.7625 0.5170
H8 0.1154 0.0518 1.4672   -0.1057 0.0726 1.4671
H9 1.0220 -1.7348 -0.0199   -1.0430 -1.7224 0.0093
H10 0.9013 -0.6547 -1.3827   -0.9176 -0.6619 -1.3684
H11 3.2246 -0.7556 -0.4468   -3.2361 -0.7223 -0.4173
H12 2.5920 0.8714 -0.3377   -2.5833 0.8982 -0.3337
H13 2.6394 -0.1475 1.0905   -2.6343 -0.1011 1.1081
H14 -0.3850 1.5915 -1.1278   0.3972 1.5717 -1.1512
H15 -1.0865 2.0023 0.4170   1.1131 1.9943 0.3838
H16 0.6506 2.1061 0.1969   -0.6239 2.1163 0.1728
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 O6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
C1 1.5142 2.4884 3.8793 2.5265 1.2200 1.0898 2.0917 2.6165 2.7749 4.6437 4.3012 4.1459 2.8341 2.7306 3.4636
C2 1.5142 1.5506 2.5871 1.5346 2.4328 2.2104 1.0898 2.1644 2.1636 3.5189 2.8916 2.8240 2.1707 2.1699 2.1706
C3 2.4884 1.5506 1.5372 2.5840 3.5037 2.7379 2.1440 1.0871 1.0861 2.1684 2.1847 2.1770 2.8209 3.5180 2.8687
C4 3.8793 2.5871 1.5372 3.1744 4.8834 4.1439 2.7633 2.1464 2.1590 1.0845 1.0831 1.0857 3.5248 4.1646 2.8925
C5 2.5265 1.5346 2.5840 3.1744 2.8257 3.5093 2.1541 3.5020 2.7997 4.1656 2.9155 3.5207 1.0839 1.0822 1.0826
O6 1.2200 2.4328 3.5037 4.8834 2.8257 1.9958 3.0663 3.7487 3.5304 5.6651 5.1319 5.2267 2.8827 2.6978 3.8920
H7 1.0898 2.2104 2.7379 4.1439 3.5093 1.9958 2.5039 2.4058 3.1178 4.7547 4.7904 4.3190 3.8379 3.7642 4.3470
H8 2.0917 1.0898 2.1440 2.7633 2.1541 3.0663 2.5039 2.4951 3.0395 3.7393 3.1722 2.5598 3.0587 2.5203 2.4739
H9 2.6165 2.1644 1.0871 2.1464 3.5020 3.7487 2.4058 2.4951 1.7430 2.4479 3.0590 2.5236 3.7778 4.3130 3.8649
H10 2.7749 2.1636 1.0861 2.1590 2.7997 3.5304 3.1178 3.0395 1.7430 2.5067 2.5058 3.0651 2.6010 3.7749 3.1906
H11 4.6437 3.5189 2.1684 1.0845 4.1656 5.6651 4.7547 3.7393 2.4479 2.5067 1.7490 1.7536 4.3591 5.1901 3.9024
H12 4.3012 2.8916 2.1847 1.0831 2.9155 5.1319 4.7904 3.1722 3.0590 2.5058 1.7490 1.7550 3.1631 3.9217 2.3621
H13 4.1459 2.8240 2.1770 1.0857 3.5207 5.2267 4.3190 2.5598 2.5236 3.0651 1.7536 1.7550 4.1343 4.3541 3.1357
H14 2.8341 2.1707 2.8209 3.5248 1.0839 2.8827 3.8379 3.0587 3.7778 2.6010 4.3591 3.1631 4.1343 1.7457 1.7584
H15 2.7306 2.1699 3.5180 4.1646 1.0822 2.6978 3.7642 2.5203 4.3130 3.7749 5.1901 3.9217 4.3541 1.7457 1.7541
H16 3.4636 2.1706 2.8687 2.8925 1.0826 3.8920 4.3470 2.4739 3.8649 3.1906 3.9024 2.3621 3.1357 1.7584 1.7541
Maximum atom distance is 5.6651Å between atoms O6 and H11.
picture of 2-methylbutyraldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 108.564 C1 C2 C5 111.923
C2 C1 O6 125.348 C2 C3 C4 113.824
C3 C2 C5 113.761
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 105.737 C2 C1 H7 115.205
C2 C3 H9 109.013 C2 C3 H10 109.007
C2 C5 H14 110.814 C2 C5 H15 110.856
C2 C5 H16 110.882 C3 C2 H8 107.296
C3 C4 H11 110.411 C3 C4 H12 111.802
C3 C4 H13 111.025 C4 C3 H9 108.530
C4 C3 H10 109.567 C5 C2 H8 109.154
O6 C1 H7 119.447 H9 C3 H10 106.652
H11 C4 H12 107.593 H11 C4 H13 107.815
H12 C4 H13 108.036 H14 C5 H15 107.403
H14 C5 H16 108.517 H15 C5 H16 108.249

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