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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

B3LYP/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -0.7388 -1.2245 0.0000   -0.5590 -1.3164 0.0000
C2 -0.9825 -0.1668 0.0000   -0.9492 -0.3035 0.0000
H3 -0.2671 1.7824 0.0000   -0.5155 1.7270 0.0000
C4 0.0000 0.7277 0.0000   -0.1025 0.7204 0.0000
H5 -2.9455 -0.2542 0.8762   -2.8803 -0.6665 0.8762
H6 -2.9455 -0.2542 -0.8762   -2.8803 -0.6665 -0.8762
H7 -2.6090 1.2433 0.0000   -2.7580 0.8635 0.0000
C8 -2.4437 0.1655 0.0000   -2.4427 -0.1803 0.0000
H9 1.9214 0.9545 -0.8677   1.7678 1.2155 -0.8677
H10 1.9214 0.9545 0.8677   1.7678 1.2155 0.8677
C11 1.4778 0.4528 0.0000   1.3994 0.6564 0.0000
H12 2.9777 -1.1077 0.0000   3.1041 -0.6774 0.0000
H13 1.5140 -1.5368 0.8814   1.7154 -1.3083 0.8814
H14 1.5140 -1.5368 -0.8814   1.7154 -1.3083 -0.8814
C15 1.8912 -1.0160 0.0000   2.0154 -0.7395 0.0000
Atom - Atom Distances (Å)
  H1 C2 H3 C4 H5 H6 H7 C8 H9 H10 C11 H12 H13 H14 C15
H1 1.0854 3.0437 2.0873 2.5649 2.5649 3.0963 2.1997 3.5465 3.5465 2.7798 3.7184 2.4392 2.4392 2.6383
C2 1.0854 2.0763 1.3286 2.1515 2.1515 2.1526 1.4985 3.2315 3.2315 2.5371 4.0704 2.9810 2.9810 2.9965
H3 3.0437 2.0763 1.0880 3.4769 3.4769 2.4031 2.7114 2.4956 2.4956 2.1938 4.3453 3.8687 3.8687 3.5340
C4 2.0873 1.3286 1.0880 3.2261 3.2261 2.6594 2.5075 2.1204 2.1204 1.5032 3.4980 2.8631 2.8631 2.5723
H5 2.5649 2.1515 3.4769 3.2261 1.7525 1.7674 1.0935 5.3093 5.0147 4.5644 6.0482 4.6403 4.9620 4.9741
H6 2.5649 2.1515 3.4769 3.2261 1.7525 1.7674 1.0935 5.0147 5.3093 4.5644 6.0482 4.9620 4.6403 4.9741
H7 3.0963 2.1526 2.4031 2.6594 1.7674 1.7674 1.0904 4.6217 4.6217 4.1625 6.0612 5.0503 5.0503 5.0354
C8 2.1997 1.4985 2.7114 2.5075 1.0935 1.0935 1.0904 4.5199 4.5199 3.9320 5.5689 4.3976 4.3976 4.4930
H9 3.5465 3.2315 2.4956 2.1204 5.3093 5.0147 4.6217 4.5199 1.7354 1.0960 2.4742 3.0711 2.5244 2.1532
H10 3.5465 3.2315 2.4956 2.1204 5.0147 5.3093 4.6217 4.5199 1.7354 1.0960 2.4742 2.5244 3.0711 2.1532
C11 2.7798 2.5371 2.1938 1.5032 4.5644 4.5644 4.1625 3.9320 1.0960 1.0960 2.1645 2.1765 2.1765 1.5259
H12 3.7184 4.0704 4.3453 3.4980 6.0482 6.0482 6.0612 5.5689 2.4742 2.4742 2.1645 1.7617 1.7617 1.0904
H13 2.4392 2.9810 3.8687 2.8631 4.6403 4.9620 5.0503 4.3976 3.0711 2.5244 2.1765 1.7617 1.7629 1.0911
H14 2.4392 2.9810 3.8687 2.8631 4.9620 4.6403 5.0503 4.3976 2.5244 3.0711 2.1765 1.7617 1.7629 1.0911
C15 2.6383 2.9965 3.5340 2.5723 4.9741 4.9741 5.0354 4.4930 2.1532 2.1532 1.5259 1.0904 1.0911 1.0911
Maximum atom distance is 6.0612Å 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 127.148 C4 C2 C8 124.873
C4 C11 C15 116.254
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C4 119.345 H1 C2 C8 115.782
C2 C4 H3 118.102 C2 C8 H5 111.244
C2 C8 H6 111.244 C2 C8 H7 111.529
H3 C4 C11 114.750 C4 C11 H9 108.311
C4 C11 H10 108.311 H5 C8 H6 106.512
H5 C8 H7 108.051 H6 C8 H7 108.051
H9 C11 H10 104.685 H9 C11 C15 109.326
H10 C11 C15 109.326 C11 C15 H12 110.546
C11 C15 H13 111.463 C11 C15 H14 111.463
H12 C15 H13 107.714 H12 C15 H14 107.714
H13 C15 H14 107.772

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