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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

HF/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.5145 0.4950 0.0000   0.2985 -1.5651 0.0000
H2 -1.9733 -0.4826 0.0000   -0.7295 -1.8960 0.0000
H3 -1.8737 1.0321 0.8739   0.7856 -1.9896 0.8739
H4 -1.8737 1.0321 -0.8739   0.7856 -1.9896 -0.8739
C5 0.2777 -2.1071 0.0000   -2.0547 0.5432 0.0000
H6 0.6602 -2.6270 -0.8740   -2.5218 0.9887 -0.8740
H7 0.6602 -2.6270 0.8740   -2.5218 0.9887 0.8740
H8 -0.7983 -2.2099 0.0000   -2.2934 -0.5111 0.0000
C9 0.7395 -0.6675 0.0000   -0.5682 0.8184 0.0000
H10 1.8113 -0.5503 0.0000   -0.3157 1.8665 0.0000
C11 0.0000 0.4480 0.0000   0.4444 -0.0569 0.0000
C12 0.6548 1.8168 0.0000   1.8853 0.4186 0.0000
H13 1.7353 1.7461 0.0000   1.9525 1.4994 0.0000
H14 0.3534 2.3877 0.8744   2.4132 0.0472 0.8744
H15 0.3534 2.3877 -0.8744   2.4132 0.0472 -0.8744
Atom - Atom Distances (Å)
  C1 H2 H3 H4 C5 H6 H7 H8 C9 H10 C11 C12 H13 H14 H15
C1 1.0799 1.0868 1.0868 3.1596 3.9039 3.9039 2.7981 2.5362 3.4862 1.5153 2.5403 3.4824 2.7993 2.7993
H2 1.0799 1.7516 1.7516 2.7759 3.5068 3.5068 2.0890 2.7191 3.7851 2.1817 3.4920 4.3268 3.7969 3.7969
H3 1.0868 1.7516 1.7479 3.9047 4.7817 4.4508 3.5257 3.2375 4.1044 2.1484 2.7880 3.7813 2.6072 3.1392
H4 1.0868 1.7516 1.7479 3.9047 4.4508 4.7817 3.5257 3.2375 4.1044 2.1484 2.7880 3.7813 3.1392 2.6072
C5 3.1596 2.7759 3.9047 3.9047 1.0865 1.0865 1.0809 1.5118 2.1853 2.5702 3.9420 4.1197 4.5797 4.5797
H6 3.9039 3.5068 4.7817 4.4508 1.0865 1.7479 1.7508 2.1470 2.5301 3.2643 4.5289 4.5873 5.3196 5.0240
H7 3.9039 3.5068 4.4508 4.7817 1.0865 1.7479 1.7508 2.1470 2.5301 3.2643 4.5289 4.5873 5.0240 5.3196
H8 2.7981 2.0890 3.5257 3.5257 1.0809 1.7508 1.7508 2.1780 3.0926 2.7752 4.2809 4.6978 4.8196 4.8196
C9 2.5362 2.7191 3.2375 3.2375 1.5118 2.1470 2.1470 2.1780 1.0781 1.3385 2.4858 2.6110 3.2012 3.2012
H10 3.4862 3.7851 4.1044 4.1044 2.1853 2.5301 2.5301 3.0926 1.0781 2.0682 2.6345 2.2976 3.3943 3.3943
C11 1.5153 2.1817 2.1484 2.1484 2.5702 3.2643 3.2643 2.7752 1.3385 2.0682 1.5173 2.1671 2.1568 2.1568
C12 2.5403 3.4920 2.7880 2.7880 3.9420 4.5289 4.5289 4.2809 2.4858 2.6345 1.5173 1.0828 1.0869 1.0869
H13 3.4824 4.3268 3.7813 3.7813 4.1197 4.5873 4.5873 4.6978 2.6110 2.2976 2.1671 1.0828 1.7566 1.7566
H14 2.7993 3.7969 2.6072 3.1392 4.5797 5.3196 5.0240 4.8196 3.2012 3.3943 2.1568 1.0869 1.7566 1.7488
H15 2.7993 3.7969 3.1392 2.6072 4.5797 5.0240 5.3196 4.8196 3.2012 3.3943 2.1568 1.0869 1.7566 1.7488
Maximum atom distance is 5.3196Å 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 125.316 C1 C11 C12 113.791
C5 C9 C11 128.671 C9 C11 C12 120.892
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 107.878 H2 C1 H4 107.878
H2 C1 C11 113.363 H3 C1 H4 107.049
H3 C1 C11 110.218 H4 C1 C11 110.218
C5 C9 H10 114.033 H6 C5 H7 107.104
H6 C5 H8 107.758 H6 C5 C9 110.369
H7 C5 H8 107.758 H7 C5 C9 110.369
H8 C5 C9 113.245 H10 C9 C11 117.297
C11 C12 H13 111.824 C11 C12 H14 110.741
C11 C12 H15 110.741 H13 C12 H14 108.119
H13 C12 H15 108.119 H14 C12 H15 107.125

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