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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

PBEPBE/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.5040 0.4899 0.0000   0.3408 -1.5446 0.0000
H2 -1.9642 -0.5048 0.0000   -0.6941 -1.9056 0.0000
H3 -1.8782 1.0365 0.8815   0.8481 -1.9704 0.8815
H4 -1.8782 1.0365 -0.8815   0.8481 -1.9704 -0.8815
C5 0.2667 -2.0932 0.0000   -2.0572 0.4698 0.0000
H6 0.6479 -2.6345 -0.8813   -2.5587 0.9020 -0.8813
H7 0.6479 -2.6345 0.8813   -2.5587 0.9020 0.8813
H8 -0.8264 -2.1858 0.0000   -2.2560 -0.6090 0.0000
C9 0.7381 -0.6712 0.0000   -0.5959 0.8001 0.0000
H10 1.8271 -0.5468 0.0000   -0.3658 1.8718 0.0000
C11 0.0000 0.4529 0.0000   0.4507 -0.0442 0.0000
C12 0.6588 1.8071 0.0000   1.8628 0.4792 0.0000
H13 1.7538 1.7281 0.0000   1.8910 1.5767 0.0000
H14 0.3563 2.3961 0.8820   2.4194 0.1206 0.8820
H15 0.3563 2.3961 -0.8820   2.4194 0.1206 -0.8820
Atom - Atom Distances (Å)
  C1 H2 H3 H4 C5 H6 H7 H8 C9 H10 C11 C12 H13 H14 H15
C1 1.0960 1.1026 1.1026 3.1318 3.8948 3.8948 2.7602 2.5249 3.4887 1.5044 2.5323 3.4851 2.8057 2.8057
H2 1.0960 1.7776 1.7776 2.7387 3.4836 3.4836 2.0299 2.7075 3.7916 2.1853 3.4964 4.3370 3.8181 3.8181
H3 1.1026 1.7776 1.7630 3.8952 4.7922 4.4562 3.5024 3.2463 4.1247 2.1553 2.7942 3.8009 2.6156 3.1546
H4 1.1026 1.7776 1.7630 3.8952 4.4562 4.7922 3.5024 3.2463 4.1247 2.1553 2.7942 3.8009 3.1546 2.6156
C5 3.1318 2.7387 3.8952 3.8952 1.1022 1.1022 1.0970 1.4981 2.1969 2.5600 3.9200 4.1004 4.5760 4.5760
H6 3.8948 3.4836 4.7922 4.4562 1.1022 1.7626 1.7752 2.1539 2.5546 3.2754 4.5282 4.5860 5.3387 5.0391
H7 3.8948 3.4836 4.4562 4.7922 1.1022 1.7626 1.7752 2.1539 2.5546 3.2754 4.5282 4.5860 5.0391 5.3387
H8 2.7602 2.0299 3.5024 3.5024 1.0970 1.7752 1.7752 2.1776 3.1189 2.7651 4.2602 4.6878 4.8136 4.8136
C9 2.5249 2.7075 3.2463 3.2463 1.4981 2.1539 2.1539 2.1776 1.0961 1.3448 2.4796 2.6054 3.2144 3.2144
H10 3.4887 3.7916 4.1247 4.1247 2.1969 2.5546 2.5546 3.1189 1.0961 2.0827 2.6279 2.2760 3.4061 3.4061
C11 1.5044 2.1853 2.1553 2.1553 2.5600 3.2754 3.2754 2.7651 1.3448 2.0827 1.5059 2.1684 2.1635 2.1635
C12 2.5323 3.4964 2.7942 2.7942 3.9200 4.5282 4.5282 4.2602 2.4796 2.6279 1.5059 1.0979 1.1029 1.1029
H13 3.4851 4.3370 3.8009 3.8009 4.1004 4.5860 4.5860 4.6878 2.6054 2.2760 2.1684 1.0979 1.7825 1.7825
H14 2.8057 3.8181 2.6156 3.1546 4.5760 5.3387 5.0391 4.8136 3.2144 3.4061 2.1635 1.1029 1.7825 1.7641
H15 2.8057 3.8181 3.1546 2.6156 4.5760 5.0391 5.3387 4.8136 3.2144 3.4061 2.1635 1.1029 1.7825 1.7641
Maximum atom distance is 5.3387Å 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 124.702 C1 C11 C12 114.530
C5 C9 C11 128.369 C9 C11 C12 120.768
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 107.896 H2 C1 H4 107.896
H2 C1 C11 113.420 H3 C1 H4 106.156
H3 C1 C11 110.580 H4 C1 C11 110.580
C5 C9 H10 114.860 H6 C5 H7 106.171
H6 C5 H8 107.644 H6 C5 C9 110.937
H7 C5 H8 107.644 H7 C5 C9 110.937
H8 C5 C9 113.183 H10 C9 C11 116.771
C11 C12 H13 111.813 C11 C12 H14 111.115
C11 C12 H15 111.115 H13 C12 H14 108.181
H13 C12 H15 108.181 H14 C12 H15 106.209

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