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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

CCD/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3717 -0.7027 0.2144   1.3661 -0.7136 0.2145
C2 -0.0834 0.0725 0.4042   0.0870 0.0771 0.4026
C3 1.0568 -0.6851 -0.3027   -1.0657 -0.6784 -0.2861
C4 2.4502 -0.1363 0.0086   -2.4513 -0.1113 0.0272
C5 -0.2384 1.5218 -0.0491   0.2533 1.5185 -0.0714
O6 -2.3940 -0.2458 -0.2551   2.3896 -0.2735 -0.2681
H7 -1.3328 -1.7676 0.5337   1.3186 -1.7737 0.5485
H8 0.1260 0.0452 1.4885   -0.1152 0.0666 1.4885
H9 1.0174 -1.7451 -0.0107   -1.0350 -1.7346 0.0199
H10 0.8793 -0.6558 -1.3878   -0.8955 -0.6655 -1.3727
H11 3.2230 -0.7492 -0.4699   -3.2335 -0.7227 -0.4377
H12 2.5711 0.8908 -0.3522   -2.5644 0.9120 -0.3466
H13 2.6386 -0.1399 1.0897   -2.6322 -0.0984 1.1095
H14 -0.4096 1.5680 -1.1308   0.4175 1.5484 -1.1547
H15 -1.0978 1.9907 0.4403   1.1208 1.9853 0.4058
H16 0.6556 2.1078 0.1874   -0.6331 2.1166 0.1632
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 O6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
C1 1.5155 2.4830 3.8692 2.5104 1.2142 1.1125 2.1038 2.6163 2.7634 4.6456 4.2902 4.1432 2.8091 2.7167 3.4655
C2 1.5155 1.5408 2.5729 1.5264 2.4238 2.2279 1.1046 2.1651 2.1607 3.5174 2.8790 2.8151 2.1678 2.1702 2.1761
C3 2.4830 1.5408 1.5296 2.5715 3.4790 2.7534 2.1466 1.1001 1.0999 2.1735 2.1861 2.1767 2.8130 3.5149 2.8638
C4 3.8692 2.5729 1.5296 3.1593 4.8526 4.1531 2.7613 2.1544 2.1651 1.0963 1.0953 1.0974 3.5187 4.1592 2.8789
C5 2.5104 1.5264 2.5715 3.1593 2.7953 3.5153 2.1626 3.5001 2.7899 4.1612 2.8954 3.5122 1.0962 1.0946 1.0948
O6 1.2142 2.4238 3.4790 4.8526 2.7953 2.0160 3.0782 3.7343 3.4879 5.6436 5.0945 5.2103 2.8274 2.6769 3.8775
H7 1.1125 2.2279 2.7534 4.1531 3.5153 2.0160 2.5152 2.4125 3.1339 4.7748 4.8054 4.3279 3.8405 3.7669 4.3695
H8 2.1038 1.1046 2.1466 2.7613 2.1626 3.0782 2.5152 2.4995 3.0548 3.7493 3.1751 2.5508 3.0767 2.5261 2.4955
H9 2.6163 2.1651 1.1001 2.1544 3.5001 3.7343 2.4125 2.4995 1.7611 2.4631 3.0787 2.5330 3.7772 4.3167 3.8748
H10 2.7634 2.1607 1.0999 2.1651 2.7899 3.4879 3.1339 3.0548 1.7611 2.5187 2.5153 3.0821 2.5832 3.7756 3.1888
H11 4.6456 3.5174 2.1735 1.0963 4.1612 5.6436 4.7748 3.7493 2.4631 2.5187 1.7687 1.7735 4.3591 5.1966 3.8968
H12 4.2902 2.8790 2.1861 1.0953 2.8954 5.0945 4.8054 3.1751 3.0787 2.5153 1.7687 1.7737 3.1543 3.9114 2.3326
H13 4.1432 2.8151 2.1767 1.0974 3.5122 5.2103 4.3279 2.5508 2.5330 3.0821 1.7735 1.7737 4.1400 4.3500 3.1303
H14 2.8091 2.1678 2.8130 3.5187 1.0962 2.8274 3.8405 3.0767 3.7772 2.5832 4.3591 3.1543 4.1400 1.7666 1.7787
H15 2.7167 2.1702 3.5149 4.1592 1.0946 2.6769 3.7669 2.5261 4.3167 3.7756 5.1966 3.9114 4.3500 1.7666 1.7755
H16 3.4655 2.1761 2.8638 2.8789 1.0948 3.8775 4.3695 2.4955 3.8748 3.1888 3.8968 2.3326 3.1303 1.7787 1.7755
Maximum atom distance is 5.6436Å 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 108.670 C1 C2 C5 111.234
C2 C1 O6 124.870 C2 C3 C4 113.851
C3 C2 C5 113.937
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 105.756 C2 C1 H7 115.084
C2 C3 H9 108.997 C2 C3 H10 108.669
C2 C5 H14 110.423 C2 C5 H15 110.712
C2 C5 H16 111.172 C3 C2 H8 107.329
C3 C4 H11 110.652 C3 C4 H12 111.715
C3 C4 H13 110.836 C4 C3 H9 108.925
C4 C3 H10 109.768 C5 C2 H8 109.523
O6 C1 H7 120.045 H9 C3 H10 106.360
H11 C4 H12 107.619 H11 C4 H13 107.888
H12 C4 H13 107.977 H14 C5 H15 107.490
H14 C5 H16 108.551 H15 C5 H16 108.380

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