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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

BLYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -0.7660 -1.2468 0.0000   0.5864 1.3407 0.0000
C2 -0.9979 -0.1645 0.0000   0.9656 0.3008 0.0000
H3 -0.2559 1.8270 0.0000   0.5059 -1.7741 0.0000
C4 0.0000 0.7478 0.0000   0.1033 -0.7406 0.0000
H5 -3.0038 -0.2311 0.8952   2.9431 0.6439 0.8952
H6 -3.0038 -0.2311 -0.8952   2.9431 0.6439 -0.8952
H7 -2.6460 1.2905 0.0000   2.7989 -0.9126 0.0000
C8 -2.4979 0.1924 0.0000   2.5006 0.1545 0.0000
H9 1.9770 0.9496 -0.8909   -1.8268 -1.2136 -0.8909
H10 1.9770 0.9496 0.8909   -1.8268 -1.2136 0.8909
C11 1.5227 0.4549 0.0000   -1.4452 -0.6609 0.0000
H12 3.0206 -1.1658 0.0000   -3.1527 0.7373 0.0000
H13 1.5200 -1.5746 0.8992   -1.7229 1.3496 0.8992
H14 1.5200 -1.5746 -0.8992   -1.7229 1.3496 -0.8992
C15 1.9167 -1.0627 0.0000   -2.0451 0.7877 0.0000
Atom - Atom Distances (Å)
  H1 C2 H3 C4 H5 H6 H7 C8 H9 H10 C11 H12 H13 H14 C15
H1 1.1069 3.1158 2.1366 2.6155 2.6155 3.1579 2.2519 3.6252 3.6252 2.8520 3.7875 2.4783 2.4783 2.6890
C2 1.1069 2.1252 1.3521 2.1976 2.1976 2.1985 1.5419 3.2992 3.2992 2.5956 4.1414 3.0227 3.0227 3.0499
H3 3.1158 2.1252 1.1091 3.5480 3.5480 2.4496 2.7746 2.5592 2.5592 2.2464 4.4376 3.9412 3.9412 3.6153
C4 2.1366 1.3521 1.1091 3.2837 3.2837 2.7011 2.5589 2.1778 2.1778 1.5506 3.5757 2.9176 2.9176 2.6366
H5 2.6155 2.1976 3.5480 3.2837 1.7904 1.8013 1.1121 5.4215 5.1188 4.6649 6.1619 4.7191 5.0487 5.0700
H6 2.6155 2.1976 3.5480 3.2837 1.7904 1.8013 1.1121 5.1188 5.4215 4.6649 6.1619 5.0487 4.7191 5.0700
H7 3.1579 2.1985 2.4496 2.7011 1.8013 1.8013 1.1080 4.7204 4.7204 4.2516 6.1761 5.1355 5.1355 5.1338
C8 2.2519 1.5419 2.7746 2.5589 1.1121 1.1121 1.1080 4.6251 4.6251 4.0292 5.6833 4.4805 4.4805 4.5896
H9 3.6252 3.2992 2.5592 2.1778 5.4215 5.1188 4.7204 4.6251 1.7817 1.1157 2.5214 3.1281 2.5653 2.2015
H10 3.6252 3.2992 2.5592 2.1778 5.1188 5.4215 4.7204 4.6251 1.7817 1.1157 2.5214 2.5653 3.1281 2.2015
C11 2.8520 2.5956 2.2464 1.5506 4.6649 4.6649 4.2516 4.0292 1.1157 1.1157 2.2069 2.2198 2.2198 1.5679
H12 3.7875 4.1414 4.4376 3.5757 6.1619 6.1619 6.1761 5.6833 2.5214 2.5214 2.2069 1.7966 1.7966 1.1087
H13 2.4783 3.0227 3.9412 2.9176 4.7191 5.0487 5.1355 4.4805 3.1281 2.5653 2.2198 1.7966 1.7984 1.1082
H14 2.4783 3.0227 3.9412 2.9176 5.0487 4.7191 5.1355 4.4805 2.5653 3.1281 2.2198 1.7966 1.7984 1.1082
C15 2.6890 3.0499 3.6153 2.6366 5.0700 5.0700 5.1338 4.5896 2.2015 2.2015 1.5679 1.1087 1.1082 1.1082
Maximum atom distance is 6.1761Å 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 126.676 C4 C2 C8 124.182
C4 C11 C15 115.446
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C4 120.339 H1 C2 C8 115.479
C2 C4 H3 119.092 C2 C8 H5 110.755
C2 C8 H6 110.755 C2 C8 H7 111.064
H3 C4 C11 114.231 C4 C11 H9 108.426
C4 C11 H10 108.426 H5 C8 H6 107.222
H5 C8 H7 108.459 H6 C8 H7 108.459
H9 C11 H10 105.969 H9 C11 C15 109.079
H10 C11 C15 109.079 C11 C15 H12 109.889
C11 C15 H13 110.926 C11 C15 H14 110.926
H12 C15 H13 108.272 H12 C15 H14 108.272
H13 C15 H14 108.472

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