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Geometry for C3H3 (cyclopropenyl radical)

1910171554

PBEPBEultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0377 0.8937 0.0000   0.0027 -0.0376 0.8937
H2 0.7573 1.6589 0.0000   -0.0547 0.7553 1.6589
C3 -0.0377 -0.4200 0.6622   0.6632 0.0102 -0.4200
C4 -0.0377 -0.4200 -0.6622   -0.6577 -0.0855 -0.4200
H5 -0.0390 -0.9905 1.5900   1.5887 0.0760 -0.9905
H6 -0.0390 -0.9905 -1.5900   -1.5830 -0.1538 -0.9905
Atom - Atom Distances (Å)
  C1 H2 C3 C4 H5 H6
C1 1.1035 1.4711 1.4711 2.4654 2.4654
H2 1.1035 2.3221 2.3221 3.1908 3.1908
C3 1.4711 2.3221 1.3244 1.0891 2.3233
C4 1.4711 2.3221 1.3244 2.3233 1.0891
H5 2.4654 3.1908 1.0891 2.3233 3.1800
H6 2.4654 3.1908 2.3233 1.0891 3.1800
Maximum atom distance is 3.1908Å between atoms H2 and H5.
picture of cyclopropenyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 C4 63.248 C1 C4 C3 63.248
C3 C1 C4 53.505
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H5 148.338 C1 C4 H6 148.338
H2 C1 C3 128.261 H2 C1 C4 128.261
C3 C4 H6 148.414 C4 C3 H5 148.414

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