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Geometry for C5H10 (2-Butene, 2-methyl-) 1A' CS

1910171554
InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3 INChIKey=BKOOMYPCSUNDGP-UHFFFAOYSA-N

QCISD/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.5124 0.4916 0.0000   0.3366 -1.5542 0.0000
H2 -1.9705 -0.5000 0.0000   -0.6960 -1.9101 0.0000
H3 -1.8742 1.0360 0.8828   0.8418 -1.9691 0.8828
H4 -1.8742 1.0360 -0.8828   0.8418 -1.9691 -0.8828
C5 0.2707 -2.1022 0.0000   -2.0642 0.4812 0.0000
H6 0.6518 -2.6315 -0.8830   -2.5524 0.9137 -0.8830
H7 0.6518 -2.6315 0.8830   -2.5524 0.9137 0.8830
H8 -0.8188 -2.1892 0.0000   -2.2606 -0.5940 0.0000
C9 0.7440 -0.6696 0.0000   -0.5912 0.8077 0.0000
H10 1.8287 -0.5461 0.0000   -0.3590 1.8744 0.0000
C11 0.0000 0.4504 0.0000   0.4481 -0.0454 0.0000
C12 0.6568 1.8144 0.0000   1.8713 0.4706 0.0000
H13 1.7489 1.7357 0.0000   1.9031 1.5650 0.0000
H14 0.3509 2.3916 0.8833   2.4148 0.1080 0.8833
H15 0.3509 2.3916 -0.8833   2.4148 0.1080 -0.8833
Atom - Atom Distances (Å)
  C1 H2 H3 H4 C5 H6 H7 H8 C9 H10 C11 C12 H13 H14 H15
C1 1.0922 1.0985 1.0985 3.1475 3.9009 3.9009 2.7690 2.5376 3.4985 1.5129 2.5407 3.4905 2.8040 2.8040
H2 1.0922 1.7742 1.7742 2.7550 3.4928 3.4928 2.0444 2.7198 3.7995 2.1877 3.5013 4.3396 3.8119 3.8119
H3 1.0985 1.7742 1.7657 3.9023 4.7906 4.4533 3.5064 3.2471 4.1224 2.1529 2.7914 3.7942 2.6055 3.1477
H4 1.0985 1.7742 1.7657 3.9023 4.4533 4.7906 3.5064 3.2471 4.1224 2.1529 2.7914 3.7942 3.1477 2.6055
C5 3.1475 2.7550 3.9023 3.9023 1.0979 1.0979 1.0930 1.5087 2.2020 2.5669 3.9355 4.1127 4.5805 4.5805
H6 3.9009 3.4928 4.7906 4.4533 1.0979 1.7661 1.7715 2.1534 2.5523 3.2715 4.5328 4.5887 5.3332 5.0322
H7 3.9009 3.4928 4.4533 4.7906 1.0979 1.7661 1.7715 2.1534 2.5523 3.2715 4.5328 4.5887 5.0322 5.3332
H8 2.7690 2.0444 3.5064 3.5064 1.0930 1.7715 1.7715 2.1798 3.1160 2.7637 4.2669 4.6902 4.8096 4.8096
C9 2.5376 2.7198 3.2471 3.2471 1.5087 2.1534 2.1534 2.1798 1.0917 1.3446 2.4855 2.6068 3.2103 3.2103
H10 3.4985 3.7995 4.1224 4.1224 2.2020 2.5523 2.5523 3.1160 1.0917 2.0826 2.6353 2.2831 3.4050 3.4050
C11 1.5129 2.1877 2.1529 2.1529 2.5669 3.2715 3.2715 2.7637 1.3446 2.0826 1.5139 2.1704 2.1614 2.1614
C12 2.5407 3.5013 2.7914 2.7914 3.9355 4.5328 4.5328 4.2669 2.4855 2.6353 1.5139 1.0949 1.0987 1.0987
H13 3.4905 4.3396 3.7942 3.7942 4.1127 4.5887 4.5887 4.6902 2.6068 2.2831 2.1704 1.0949 1.7791 1.7791
H14 2.8040 3.8119 2.6055 3.1477 4.5805 5.3332 5.0322 4.8096 3.2103 3.4050 2.1614 1.0987 1.7791 1.7667
H15 2.8040 3.8119 3.1477 2.6055 4.5805 5.0322 5.3332 4.8096 3.2103 3.4050 2.1614 1.0987 1.7791 1.7667
Maximum atom distance is 5.3332Å between atoms H6 and H14.
picture of 2-Butene, 2-methyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C11 C9 125.154 C1 C11 C12 114.154
C5 C9 C11 128.121 C9 C11 C12 120.692
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 108.164 H2 C1 H4 108.164
H2 C1 C11 113.239 H3 C1 H4 106.962
H3 C1 C11 110.046 H4 C1 C11 110.046
C5 C9 H10 114.784 H6 C5 H7 107.092
H6 C5 H8 107.920 H6 C5 C9 110.421
H7 C5 H8 107.920 H7 C5 C9 110.421
H8 C5 C9 112.851 H10 C9 C11 117.095
C11 C12 H13 111.591 C11 C12 H14 110.643
C11 C12 H15 110.643 H13 C12 H14 108.394
H13 C12 H15 108.394 H14 C12 H15 107.025

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