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Geometry for (Cyclopentene) 1A' CS

1910171554
InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2 INChIKey=LPIQUOYDBNQMRZ-UHFFFAOYSA-N

B3LYPultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2584 -1.2075 0.0000   -0.1254 -1.2010 0.2584
C2 -0.0668 -0.3267 1.2369   1.1963 -0.4534 -0.0668
C3 -0.0668 -0.3267 -1.2369   -1.2641 -0.1965 -0.0668
C4 -0.0668 1.0753 0.6676   0.7757 1.0001 -0.0668
C5 -0.0668 1.0753 -0.6676   -0.5523 1.1388 -0.0668
H6 1.3272 -1.4499 0.0000   -0.1506 -1.4421 1.3272
H7 -0.2885 -2.1557 0.0000   -0.2239 -2.1440 -0.2885
H8 -1.0516 -0.5691 1.6651   1.5970 -0.7389 -1.0516
H9 -1.0516 -0.5691 -1.6651   -1.7152 -0.3930 -1.0516
H10 -0.1030 1.9632 1.2937   1.4906 1.8182 -0.1030
H11 -0.1030 1.9632 -1.2937   -1.0828 2.0869 -0.1030
H12 0.6613 -0.4601 -2.0473   -2.0840 -0.2450 0.6613
H13 0.6613 -0.4601 2.0473   1.9884 -0.6702 0.6613
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.5529 1.5529 2.4006 2.4006 1.0959 1.0946 2.2128 2.2128 3.4435 3.4435 2.2164 2.2164
C2 1.5529 2.4738 1.5131 2.3649 2.1759 2.2191 1.1009 3.0741 2.2908 3.4130 3.3665 1.0975
C3 1.5529 2.4738 2.3649 1.5131 2.1759 2.2191 3.0741 1.1009 3.4130 2.2908 1.0975 3.3665
C4 2.4006 1.5131 2.3649 1.3352 2.9607 3.3066 2.1607 3.0191 1.0871 2.1533 3.2028 2.1888
C5 2.4006 2.3649 1.5131 1.3352 2.9607 3.3066 3.0191 2.1607 2.1533 1.0871 2.1888 3.2028
H6 1.0959 2.1759 2.1759 2.9607 2.9607 1.7631 3.0343 3.0343 3.9203 3.9203 2.3695 2.3695
H7 1.0946 2.2191 2.2191 3.3066 3.3066 1.7631 2.4233 2.4233 4.3212 4.3212 2.8229 2.8229
H8 2.2128 1.1009 3.0741 2.1607 3.0191 3.0343 2.4233 3.3302 2.7294 4.0083 4.0899 1.7584
H9 2.2128 3.0741 1.1009 3.0191 2.1607 3.0343 2.4233 3.3302 4.0083 2.7294 1.7584 4.0899
H10 3.4435 2.2908 3.4130 1.0871 2.1533 3.9203 4.3212 2.7294 4.0083 2.5874 4.1974 2.6503
H11 3.4435 3.4130 2.2908 2.1533 1.0871 3.9203 4.3212 4.0083 2.7294 2.5874 2.6503 4.1974
H12 2.2164 3.3665 1.0975 3.2028 2.1888 2.3695 2.8229 4.0899 1.7584 4.1974 2.6503 4.0945
H13 2.2164 1.0975 3.3665 2.1888 3.2028 2.3695 2.8229 1.7584 4.0899 2.6503 4.1974 4.0945
Maximum atom distance is 4.3212Å between atoms H7 and H10.
picture of Cyclopentene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 103.054 C1 C3 C5 103.054
C2 C1 C3 105.594 C2 C4 C5 112.100
C3 C5 C4 112.100
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 111.856 C1 C2 H13 112.349
C1 C3 H9 111.856 C1 C3 H12 112.349
C2 C1 H6 109.250 C2 C1 H7 112.748
C2 C4 H10 122.689 C3 C1 H6 109.250
C3 C1 H7 112.748 C3 C5 H11 122.689
C4 C2 H8 110.506 C4 C2 H13 112.978
C4 C5 H11 125.168 C5 C3 H9 110.506
C5 C3 H12 112.978 C5 C4 H10 125.168
H6 C1 H7 107.201 H8 C2 H13 106.230
H9 C3 H12 106.230

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