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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

MP2=FULL/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -0.7165 -1.2408 0.0000   0.5512 1.3225 0.0000
C2 -0.9754 -0.1835 0.0000   0.9437 0.3072 0.0000
H3 -0.2873 1.7891 0.0000   0.5147 -1.7374 0.0000
C4 0.0000 0.7359 0.0000   0.0945 -0.7298 0.0000
H5 -2.9378 -0.2770 0.8793   2.8779 0.6520 0.8793
H6 -2.9378 -0.2770 -0.8793   2.8779 0.6520 -0.8793
H7 -2.6040 1.2228 0.0000   2.7395 -0.8783 0.0000
C8 -2.4398 0.1430 0.0000   2.4379 0.1715 0.0000
H9 1.9226 0.9679 -0.8717   -1.7823 -1.2068 -0.8717
H10 1.9226 0.9679 0.8717   -1.7823 -1.2068 0.8717
C11 1.4801 0.4693 0.0000   -1.4075 -0.6555 0.0000
H12 2.9685 -1.1014 0.0000   -3.0853 0.7110 0.0000
H13 1.4976 -1.5160 0.8840   -1.6799 1.3112 0.8840
H14 1.4976 -1.5160 -0.8840   -1.6799 1.3112 -0.8840
C15 1.8808 -1.0012 0.0000   -1.9938 0.7514 0.0000
Atom - Atom Distances (Å)
  H1 C2 H3 C4 H5 H6 H7 C8 H9 H10 C11 H12 H13 H14 C15
H1 1.0885 3.0602 2.1025 2.5761 2.5761 3.1036 2.2101 3.5500 3.5500 2.7838 3.6876 2.3998 2.3998 2.6083
C2 1.0885 2.0892 1.3404 2.1524 2.1524 2.1518 1.5003 3.2378 3.2378 2.5407 4.0492 2.9449 2.9449 2.9709
H3 3.0602 2.0892 1.0917 3.4737 3.4737 2.3850 2.7098 2.5135 2.5135 2.2058 4.3537 3.8589 3.8589 3.5337
C4 2.1025 1.3404 1.0917 3.2295 3.2295 2.6492 2.5108 2.1237 2.1237 1.5039 3.4910 2.8452 2.8452 2.5603
H5 2.5761 2.1524 3.4737 3.2295 1.7586 1.7703 1.0943 5.3140 5.0172 4.5659 6.0280 4.6052 4.9312 4.9514
H6 2.5761 2.1524 3.4737 3.2295 1.7586 1.7703 1.0943 5.0172 5.3140 4.5659 6.0280 4.9312 4.6052 4.9514
H7 3.1036 2.1518 2.3850 2.6492 1.7703 1.7703 1.0923 4.6168 4.6168 4.1530 6.0378 5.0106 5.0106 5.0060
C8 2.2101 1.5003 2.7098 2.5108 1.0943 1.0943 1.0923 4.5244 4.5244 3.9334 5.5495 4.3631 4.3631 4.4695
H9 3.5500 3.2378 2.5135 2.1237 5.3140 5.0172 4.6168 4.5244 1.7435 1.0974 2.4770 3.0714 2.5201 2.1539
H10 3.5500 3.2378 2.5135 2.1237 5.0172 5.3140 4.6168 4.5244 1.7435 1.0974 2.4770 2.5201 3.0714 2.1539
C11 2.7838 2.5407 2.2058 1.5039 4.5659 4.5659 4.1530 3.9334 1.0974 1.0974 2.1639 2.1734 2.1734 1.5242
H12 3.6876 4.0492 4.3537 3.4910 6.0280 6.0280 6.0378 5.5495 2.4770 2.4770 2.1639 1.7655 1.7655 1.0922
H13 2.3998 2.9449 3.8589 2.8452 4.6052 4.9312 5.0106 4.3631 3.0714 2.5201 2.1734 1.7655 1.7681 1.0924
H14 2.3998 2.9449 3.8589 2.8452 4.9312 4.6052 5.0106 4.3631 2.5201 3.0714 2.1734 1.7655 1.7681 1.0924
C15 2.6083 2.9709 3.5337 2.5603 4.9514 4.9514 5.0060 4.4695 2.1539 2.1539 1.5242 1.0922 1.0924 1.0924
Maximum atom distance is 6.0378Å between atoms H7 and H12.
picture of 2-Pentene, (E)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C4 C11 126.484 C4 C2 C8 124.125
C4 C11 C15 115.453
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C4 119.549 H1 C2 C8 116.326
C2 C4 H3 118.050 C2 C8 H5 111.143
C2 C8 H6 111.143 C2 C8 H7 111.219
H3 C4 C11 115.467 C4 C11 H9 108.440
C4 C11 H10 108.440 H5 C8 H6 106.932
H5 C8 H7 108.115 H6 C8 H7 108.115
H9 C11 H10 105.190 H9 C11 C15 109.409
H10 C11 C15 109.409 C11 C15 H12 110.505
C11 C15 H13 111.249 C11 C15 H14 111.249
H12 C15 H13 107.826 H12 C15 H14 107.826
H13 C15 H14 108.041

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