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Geometry for C5H8 (1,3-Pentadiene, (Z)-) 1A' CS

1910171554
InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4- INChIKey=PMJHHCWVYXUKFD-PLNGDYQASA-N

CID/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.3931 0.1289 0.0000   2.3904 -0.1718 0.0000
C2 1.1066 -0.2274 0.0000   1.0694 -0.3641 0.0000
C3 0.0000 0.7475 0.0000   0.0936 0.7416 0.0000
C4 -1.3085 0.4727 0.0000   -1.2390 0.6328 0.0000
C5 -1.9611 -0.8969 0.0000   -2.0580 -0.6443 0.0000
H6 2.6976 1.1691 0.0000   2.8228 0.8221 0.0000
H7 3.1903 -0.6022 0.0000   3.0898 -0.9969 0.0000
H8 0.8498 -1.2800 0.0000   0.6828 -1.3764 0.0000
H9 0.3072 1.7896 0.0000   0.5288 1.7371 0.0000
H10 -2.0053 1.3045 0.0000   -1.8262 1.5454 0.0000
H11 -1.2275 -1.7023 0.0000   -1.4309 -1.5352 0.0000
H12 -2.5964 -1.0136 0.8828   -2.7029 -0.6805 0.8828
H13 -2.5964 -1.0136 -0.8828   -2.7029 -0.6805 -0.8828
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.3350 2.4718 3.7176 4.4734 1.0839 1.0816 2.0897 2.6663 4.5529 4.0573 5.1942 5.1942
C2 1.3350 1.4747 2.5145 3.1399 2.1170 2.1172 1.0835 2.1696 3.4685 2.7610 3.8871 3.8871
C3 2.4718 1.4747 1.3370 2.5593 2.7304 3.4641 2.1984 1.0865 2.0813 2.7401 3.2591 3.2591
C4 3.7176 2.5145 1.3370 1.5171 4.0662 4.6254 2.7803 2.0844 1.0852 2.1764 2.1557 2.1557
C5 4.4734 3.1399 2.5593 1.5171 5.0963 5.1598 2.8369 3.5160 2.2019 1.0894 1.0938 1.0938
H6 1.0839 2.1170 2.7304 4.0662 5.0963 1.8386 3.0680 2.4697 4.7049 4.8632 5.7940 5.7940
H7 1.0816 2.1172 3.4641 4.6254 5.1598 1.8386 2.4367 3.7461 5.5345 4.5527 5.8681 5.8681
H8 2.0897 1.0835 2.1984 2.7803 2.8369 3.0680 2.4367 3.1173 3.8512 2.1197 3.5674 3.5674
H9 2.6663 2.1696 1.0865 2.0844 3.5160 2.4697 3.7461 3.1173 2.3628 3.8143 4.1313 4.1313
H10 4.5529 3.4685 2.0813 1.0852 2.2019 4.7049 5.5345 3.8512 2.3628 3.1058 2.5500 2.5500
H11 4.0573 2.7610 2.7401 2.1764 1.0894 4.8632 4.5527 2.1197 3.8143 3.1058 1.7685 1.7685
H12 5.1942 3.8871 3.2591 2.1557 1.0938 5.7940 5.8681 3.5674 4.1313 2.5500 1.7685 1.7655
H13 5.1942 3.8871 3.2591 2.1557 1.0938 5.7940 5.8681 3.5674 4.1313 2.5500 1.7685 1.7655
Maximum atom distance is 5.8681Å between atoms H7 and H12.
picture of 1,3-Pentadiene, (Z)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 123.145 C2 C3 C4 126.759
C3 C4 C5 127.341
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 119.186 C2 C1 H6 121.792
C2 C1 H7 121.999 C2 C3 H9 114.956
C3 C2 H8 117.669 C3 C4 H10 118.090
C4 C3 H9 118.285 C4 C5 H11 112.190
C4 C5 H12 110.250 C4 C5 H13 110.250
C5 C4 H10 114.570 H6 C1 H7 116.209
H11 C5 H12 108.196 H11 C5 H13 108.196
H12 C5 H13 107.615

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