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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

PBEPBE/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -0.7214 -1.2427 0.0000   0.5496 1.3276 0.0000
C2 -0.9818 -0.1767 0.0000   0.9495 0.3058 0.0000
H3 -0.2814 1.7999 0.0000   0.5183 -1.7464 0.0000
C4 0.0000 0.7370 0.0000   0.0981 -0.7305 0.0000
H5 -2.9552 -0.2893 0.8836   2.8905 0.6799 0.8836
H6 -2.9552 -0.2893 -0.8836   2.8905 0.6799 -0.8836
H7 -2.6285 1.2271 0.0000   2.7684 -0.8664 0.0000
C8 -2.4490 0.1400 0.0000   2.4458 0.1871 0.0000
H9 1.9318 0.9797 -0.8752   -1.7843 -1.2281 -0.8752
H10 1.9318 0.9797 0.8752   -1.7843 -1.2281 0.8752
C11 1.4820 0.4698 0.0000   -1.4063 -0.6629 0.0000
H12 2.9907 -1.1046 0.0000   -3.1111 0.6968 0.0000
H13 1.5079 -1.5283 0.8898   -1.6979 1.3141 0.8898
H14 1.5079 -1.5283 -0.8898   -1.6979 1.3141 -0.8898
C15 1.8940 -1.0041 0.0000   -2.0108 0.7432 0.0000
Atom - Atom Distances (Å)
  H1 C2 H3 C4 H5 H6 H7 C8 H9 H10 C11 H12 H13 H14 C15
H1 1.0973 3.0742 2.1070 2.5845 2.5845 3.1204 2.2128 3.5699 3.5699 2.7906 3.7147 2.4173 2.4173 2.6263
C2 1.0973 2.0970 1.3412 2.1652 2.1652 2.1639 1.5010 3.2546 3.2546 2.5472 4.0794 2.9694 2.9694 2.9925
H3 3.0742 2.0970 1.0995 3.5065 3.5065 2.4160 2.7302 2.5173 2.5173 2.2087 4.3752 3.8821 3.8821 3.5489
C4 2.1070 1.3412 1.0995 3.2508 3.2508 2.6738 2.5207 2.1347 2.1347 1.5059 3.5123 2.8632 2.8632 2.5727
H5 2.5845 2.1652 3.5065 3.2508 1.7673 1.7852 1.1052 5.3467 5.0491 4.5876 6.0663 4.6320 4.9599 4.9807
H6 2.5845 2.1652 3.5065 3.2508 1.7673 1.7852 1.1052 5.0491 5.3467 4.5876 6.0663 4.9599 4.6320 4.9807
H7 3.1204 2.1639 2.4160 2.6738 1.7852 1.7852 1.1018 4.6501 4.6501 4.1796 6.0838 5.0492 5.0492 5.0430
C8 2.2128 1.5010 2.7302 2.5207 1.1052 1.1052 1.1018 4.5456 4.5456 3.9448 5.5803 4.3855 4.3855 4.4912
H9 3.5699 3.2546 2.5173 2.1347 5.3467 5.0491 4.6501 4.5456 1.7503 1.1083 2.4963 3.0960 2.5437 2.1687
H10 3.5699 3.2546 2.5173 2.1347 5.0491 5.3467 4.6501 4.5456 1.7503 1.1083 2.4963 2.5437 3.0960 2.1687
C11 2.7906 2.5472 2.2087 1.5059 4.5876 4.5876 4.1796 3.9448 1.1083 1.1083 2.1806 2.1875 2.1875 1.5305
H12 3.7147 4.0794 4.3752 3.5123 6.0663 6.0663 6.0838 5.5803 2.4963 2.4963 2.1806 1.7804 1.7804 1.1013
H13 2.4173 2.9694 3.8821 2.8632 4.6320 4.9599 5.0492 4.3855 3.0960 2.5437 2.1875 1.7804 1.7797 1.1026
H14 2.4173 2.9694 3.8821 2.8632 4.9599 4.6320 5.0492 4.3855 2.5437 3.0960 2.1875 1.7804 1.7797 1.1026
C15 2.6263 2.9925 3.5489 2.5727 4.9807 4.9807 5.0430 4.4912 2.1687 2.1687 1.5305 1.1013 1.1026 1.1026
Maximum atom distance is 6.0838Å 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 126.836 C4 C2 C8 124.875
C4 C11 C15 115.837
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C4 119.217 H1 C2 C8 115.909
C2 C4 H3 118.117 C2 C8 H5 111.458
C2 C8 H6 111.458 C2 C8 H7 111.557
H3 C4 C11 115.047 C4 C11 H9 108.530
C4 C11 H10 108.530 H5 C8 H6 106.175
H5 C8 H7 107.975 H6 C8 H7 107.975
H9 C11 H10 104.310 H9 C11 C15 109.501
H10 C11 C15 109.501 C11 C15 H12 110.851
C11 C15 H13 111.323 C11 C15 H14 111.323
H12 C15 H13 107.778 H12 C15 H14 107.778
H13 C15 H14 107.618

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