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Geometry for C5H10 (2-Pentene, (Z)-) 1A C1

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

LSDA/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.1791 -0.2435 -0.3917   -2.1770 -0.2742 -0.3828
H2 2.6637 0.7446 -0.4076   -2.6712 0.7084 -0.4226
H3 2.9326 -0.9804 -0.0805   -2.9231 -1.0104 -0.0524
H4 1.8798 -0.4760 -1.4237   -1.8766 -0.5293 -1.4091
C5 0.9805 -0.2416 0.5308   -0.9776 -0.2378 0.5378
H6 0.5093 -1.2372 0.5440   -0.4967 -1.2281 0.5751
H7 1.3242 -0.0561 1.5646   -1.3220 -0.0300 1.5672
C8 -2.0389 -0.6536 -0.1001   2.0450 -0.6361 -0.0864
H9 -2.5267 -0.8493 -1.0683   2.5337 -0.8511 -1.0501
H10 -1.3975 -1.5138 0.1355   1.4123 -1.4964 0.1713
H11 -2.8476 -0.6262 0.6482   2.8542 -0.5823 0.6599
C12 -0.0044 0.7961 0.1543   -0.0032 0.7997 0.1345
H13 0.3991 1.8142 0.0844   -0.4166 1.8118 0.0399
C14 -1.2933 0.6212 -0.1258   1.2871 0.6304 -0.1428
H15 -1.8750 1.5078 -0.4016   1.8599 1.5154 -0.4412
Atom - Atom Distances (Å)
  C1 H2 H3 H4 C5 H6 H7 C8 H9 H10 H11 C12 H13 C14 H15
C1 1.1006 1.0990 1.0994 1.5125 2.1566 2.1431 4.2479 4.7926 3.8320 5.1474 2.4792 2.7621 3.5883 4.4162
H2 1.1006 1.7762 1.7711 2.1647 3.0780 2.5148 4.9156 5.4696 4.6785 5.7765 2.7271 2.5524 3.9689 4.6024
H3 1.0990 1.7762 1.7797 2.1749 2.5156 2.4794 4.9823 5.5495 4.3682 5.8367 3.4405 3.7757 4.5195 5.4229
H4 1.0994 1.7711 1.7797 2.1642 2.5159 3.0684 4.1400 4.4365 3.7748 5.1637 2.7674 3.1164 3.5996 4.3680
C5 1.5125 2.1647 2.1749 2.1642 1.1015 1.1052 3.1120 3.9021 2.7258 3.8491 1.4793 2.1825 2.5190 3.4761
H6 2.1566 3.0780 2.5156 2.5159 1.1015 1.7609 2.6923 3.4593 1.9696 3.4136 2.1330 3.0877 2.6742 3.7568
H7 2.1431 2.5148 2.4794 3.0684 1.1052 1.7609 3.7998 4.7319 3.4023 4.3092 2.1167 2.5583 3.1887 4.0678
C8 4.2479 4.9156 4.9823 4.1400 3.1120 2.6923 3.7998 1.1016 1.0986 1.1021 2.5111 3.4738 1.4770 2.1884
H9 4.7926 5.4696 5.5495 4.4365 3.9021 3.4593 4.7319 1.1016 1.7792 1.7604 3.2502 4.1210 2.1382 2.5348
H10 3.8320 4.6785 4.3682 3.7748 2.7258 1.9696 3.4023 1.0986 1.7792 1.7758 2.6976 3.7823 2.1535 3.1059
H11 5.1474 5.7765 5.8367 5.1637 3.8491 3.4136 4.3092 1.1021 1.7604 1.7758 3.2172 4.1005 2.1380 2.5694
C12 2.4792 2.7271 3.4405 2.7674 1.4793 2.1330 2.1167 2.5111 3.2502 2.6976 3.2172 1.0973 1.3305 2.0772
H13 2.7621 2.5524 3.7757 3.1164 2.1825 3.0877 2.5583 3.4738 4.1210 3.7823 4.1005 1.0973 2.0812 2.3455
C14 3.5883 3.9689 4.5195 3.5996 2.5190 2.6742 3.1887 1.4770 2.1382 2.1535 2.1380 1.3305 2.0812 1.0957
H15 4.4162 4.6024 5.4229 4.3680 3.4761 3.7568 4.0678 2.1884 2.5348 3.1059 2.5694 2.0772 2.3455 1.0957
Maximum atom distance is 5.8367Å between atoms H3 and H11.
picture of 2-Pentene, (Z)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 C12 111.918 C5 C12 C14 127.323
C8 C14 C12 126.782
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H6 110.193 C1 C5 H7 108.919
H2 C1 H3 107.709 H2 C1 H4 107.229
H2 C1 C5 110.892 H3 C1 H4 108.097
H3 C1 C5 111.808 H4 C1 C5 110.920
C5 C12 H13 114.974 H6 C5 H7 105.875
H6 C5 C12 110.625 H7 C5 C12 109.109
C8 C14 H15 115.766 H9 C8 H10 107.930
H9 C8 H11 106.033 H9 C8 C14 111.198
H10 C8 H11 107.591 H10 C8 C14 112.635
H11 C8 C14 111.147 C12 C14 H15 117.451
H13 C12 C14 117.690

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