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Geometry for C5H10 (2-Pentene, (E)-) 1A' CS

1910171554
InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+ INChIKey=QMMOXUPEWRXHJS-HWKANZROSA-N

B2PLYP/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -0.7673 -1.2008 0.0000   -0.5994 -1.2928 0.0000
C2 -0.9890 -0.1869 0.0000   -0.9550 -0.3178 0.0000
H3 -0.2831 1.7228 0.0000   -0.5115 1.6693 0.0000
C4 0.0000 0.7196 0.0000   -0.0965 0.7131 0.0000
H5 -2.9174 -0.1925 0.8847   -2.8652 -0.5819 0.8847
H6 -2.9174 -0.1925 -0.8847   -2.8652 -0.5819 -0.8847
H7 -2.5010 1.2957 0.0000   -2.6522 0.9486 0.0000
C8 -2.4071 0.2118 0.0000   -2.4137 -0.1128 0.0000
H9 1.8940 0.9229 -0.8745   1.7531 1.1685 -0.8745
H10 1.8940 0.9229 0.8745   1.7531 1.1685 0.8745
C11 1.4581 0.4417 0.0000   1.3857 0.6332 0.0000
H12 2.9678 -1.1119 0.0000   3.0901 -0.7039 0.0000
H13 1.4942 -1.5444 0.8763   1.6878 -1.3301 0.8763
H14 1.4942 -1.5444 -0.8763   1.6878 -1.3301 -0.8763
C15 1.8782 -1.0326 0.0000   1.9997 -0.7714 0.0000
Atom - Atom Distances (Å)
  H1 C2 H3 C4 H5 H6 H7 C8 H9 H10 C11 H12 H13 H14 C15
H1 1.0379 2.9634 2.0680 2.5342 2.5342 3.0394 2.1643 3.5153 3.5153 2.7659 3.7362 2.4496 2.4496 2.6509
C2 1.0379 2.0359 1.3415 2.1217 2.1217 2.1176 1.4731 3.2106 3.2106 2.5265 4.0635 2.9626 2.9626 2.9893
H3 2.9634 2.0359 1.0424 3.3750 3.3750 2.2587 2.6066 2.4788 2.4788 2.1617 4.3132 3.8212 3.8212 3.5019
C4 2.0680 1.3415 1.0424 3.1821 3.1821 2.5665 2.4600 2.0960 2.0960 1.4843 3.4874 2.8506 2.8506 2.5686
H5 2.5342 2.1217 3.3750 3.1821 1.7694 1.7806 1.0984 5.2429 4.9389 4.5088 6.0219 4.6141 4.9387 4.9483
H6 2.5342 2.1217 3.3750 3.1821 1.7694 1.7806 1.0984 4.9389 5.2429 4.5088 6.0219 4.9387 4.6141 4.9483
H7 3.0394 2.1176 2.2587 2.5665 1.7806 1.7806 1.0879 4.4966 4.4966 4.0502 5.9753 4.9795 4.9795 4.9597
C8 2.1643 1.4731 2.6066 2.4600 1.0984 1.0984 1.0879 4.4463 4.4463 3.8720 5.5355 4.3672 4.3672 4.4623
H9 3.5153 3.2106 2.4788 2.0960 5.2429 4.9389 4.4966 4.4463 1.7491 1.0892 2.4613 3.0517 2.4995 2.1422
H10 3.5153 3.2106 2.4788 2.0960 4.9389 5.2429 4.4966 4.4463 1.7491 1.0892 2.4613 2.4995 3.0517 2.1422
C11 2.7659 2.5265 2.1617 1.4843 4.5088 4.5088 4.0502 3.8720 1.0892 1.0892 2.1663 2.1711 2.1711 1.5330
H12 3.7362 4.0635 4.3132 3.4874 6.0219 6.0219 5.9753 5.5355 2.4613 2.4613 2.1663 1.7682 1.7682 1.0925
H13 2.4496 2.9626 3.8212 2.8506 4.6141 4.9387 4.9795 4.3672 3.0517 2.4995 2.1711 1.7682 1.7526 1.0851
H14 2.4496 2.9626 3.8212 2.8506 4.9387 4.6141 4.9795 4.3672 2.4995 3.0517 2.1711 1.7682 1.7526 1.0851
C15 2.6509 2.9893 3.5019 2.5686 4.9483 4.9483 4.9597 4.4623 2.1422 2.1422 1.5330 1.0925 1.0851 1.0851
Maximum atom distance is 6.0219Å between atoms H5 and H12.
picture of 2-Pentene, (E)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C4 C11 126.705 C4 C2 C8 121.791
C4 C11 C15 116.695
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C4 120.176 H1 C2 C8 118.033
C2 C4 H3 116.749 C2 C8 H5 110.341
C2 C8 H6 110.341 C2 C8 H7 110.656
H3 C4 C11 116.546 C4 C11 H9 108.085
C4 C11 H10 108.085 H5 C8 H6 107.301
H5 C8 H7 109.062 H6 C8 H7 109.062
H9 C11 H10 106.820 H9 C11 C15 108.372
H10 C11 C15 108.372 C11 C15 H12 110.070
C11 C15 H13 110.895 C11 C15 H14 110.895
H12 C15 H13 108.586 H12 C15 H14 108.586
H13 C15 H14 107.727

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