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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

CBS-Q


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3784 -0.6968 0.2133   1.3711 -0.7106 0.2145
C2 -0.0901 0.0796 0.3994   0.0932 0.0834 0.3979
C3 1.0540 -0.6817 -0.3029   -1.0637 -0.6726 -0.2889
C4 2.4524 -0.1446 0.0131   -2.4539 -0.1150 0.0280
C5 -0.2439 1.5323 -0.0522   0.2619 1.5285 -0.0723
O6 -2.3772 -0.2643 -0.2537   2.3725 -0.2959 -0.2632
H7 -1.3367 -1.7453 0.5452   1.3187 -1.7544 0.5594
H8 0.1111 0.0531 1.4748   -0.1024 0.0724 1.4746
H9 1.0115 -1.7317 -0.0113   -1.0322 -1.7195 0.0154
H10 0.8878 -0.6565 -1.3803   -0.9032 -0.6626 -1.3674
H11 3.2132 -0.7647 -0.4564   -3.2246 -0.7316 -0.4297
H12 2.5897 0.8708 -0.3492   -2.5810 0.8976 -0.3459
H13 2.6400 -0.1453 1.0860   -2.6355 -0.1003 1.1019
H14 -0.4122 1.5885 -1.1251   0.4250 1.5696 -1.1467
H15 -1.0939 1.9996 0.4360   1.1201 1.9914 0.4056
H16 0.6432 2.1128 0.1860   -0.6168 2.1225 0.1635
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 O6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
C1 1.5157 2.4866 3.8756 2.5152 1.1844 1.1005 2.0910 2.6140 2.7708 4.6407 4.3035 4.1489 2.8191 2.7204 3.4614
C2 1.5157 1.5433 2.5814 1.5290 2.4033 2.2149 1.0943 2.1594 2.1600 3.5153 2.8927 2.8240 2.1690 2.1668 2.1719
C3 2.4866 1.5433 1.5310 2.5786 3.4568 2.7506 2.1422 1.0906 1.0904 2.1663 2.1843 2.1754 2.8248 3.5140 2.8665
C4 3.8756 2.5814 1.5310 3.1759 4.8385 4.1476 2.7671 2.1438 2.1567 1.0880 1.0869 1.0892 3.5363 4.1656 2.8982
C5 2.5152 1.5290 2.5786 3.1759 2.7963 3.5062 2.1554 3.4974 2.7992 4.1703 2.9249 3.5251 1.0875 1.0859 1.0865
O6 1.1844 2.4033 3.4568 4.8385 2.7963 1.9784 3.0464 3.7008 3.4761 5.6165 5.0959 5.1944 2.8378 2.6922 3.8687
H7 1.1005 2.2149 2.7506 4.1476 3.5062 1.9784 2.4889 2.4133 3.1371 4.7609 4.8022 4.3205 3.8417 3.7543 4.3513
H8 2.0910 1.0943 2.1422 2.7671 2.1554 3.0464 2.4889 2.4909 3.0427 3.7445 3.1842 2.5662 3.0644 2.5139 2.4873
H9 2.6140 2.1594 1.0906 2.1438 3.4974 3.7008 2.4133 2.4909 1.7452 2.4456 3.0624 2.5244 3.7804 4.3076 3.8672
H10 2.7708 2.1600 1.0904 2.1567 2.7992 3.4761 3.1371 3.0427 1.7452 2.5046 2.5085 3.0682 2.6068 3.7789 3.1910
H11 4.6407 3.5153 2.1663 1.0880 4.1703 5.6165 4.7609 3.7445 2.4456 2.5046 1.7537 1.7582 4.3737 5.1951 3.9113
H12 4.3035 2.8927 2.1843 1.0869 2.9249 5.0959 4.8022 3.1842 3.0624 2.5085 1.7537 1.7592 3.1826 3.9318 2.3703
H13 4.1489 2.8240 2.1754 1.0892 3.5251 5.1944 4.3205 2.5662 2.5244 3.0682 1.7582 1.7592 4.1486 4.3548 3.1459
H14 2.8191 2.1690 2.8248 3.5363 1.0875 2.8378 3.8417 3.0644 3.7804 2.6068 4.3737 3.1826 4.1486 1.7523 1.7628
H15 2.7204 2.1668 3.5140 4.1656 1.0859 2.6922 3.7543 2.5139 4.3076 3.7789 5.1951 3.9318 4.3548 1.7523 1.7586
H16 3.4614 2.1719 2.8665 2.8982 1.0865 3.8687 4.3513 2.4873 3.8672 3.1910 3.9113 2.3703 3.1459 1.7628 1.7586
Maximum atom distance is 5.6165Å 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 108.757 C1 C2 C5 111.402
C2 C1 O6 125.323 C2 C3 C4 114.214
C3 C2 C5 114.132
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 105.337 C2 C1 H7 114.760
C2 C3 H9 108.929 C2 C3 H10 108.985
C2 C5 H14 110.860 C2 C5 H15 110.780
C2 C5 H16 111.146 C3 C2 H8 107.395
C3 C4 H11 110.470 C3 C4 H12 111.982
C3 C4 H13 111.126 C4 C3 H9 108.547
C4 C3 H10 109.575 C5 C2 H8 109.375
O6 C1 H7 119.916 H9 C3 H10 106.291
H11 C4 H12 107.476 H11 C4 H13 107.717
H12 C4 H13 107.889 H14 C5 H15 107.465
H14 C5 H16 108.363 H15 C5 H16 108.094

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