Structure of bicyclo[2,1,0]pentene, determined by electron diffraction

Abstract

Thermally averaged internuclear distances and root mean square amplitudes of vibration were determined for bicyclo[2,1,0]pentene by electron diffraction in the gas phase. The structural parameters were obtained by a least squares fitting of calculated molecular scattered intensity functions to the observed intensities. All models were assumed to have C_s-symmetry. The deduced structural parameters are: C(2)—C(3)= 1.341 ± 0.009, C(1)—C(2)= 1.511 ± 0.010, C(1)—C(5)= 1.533 ± 0.010, C(1)—C(4)= 1.543, C(1)—H(6)= 1.130, C(2)—H(7)= 1.089 Å, and the dihedral angle between the two planes is 65.5°. A comparison of related molecules is presented for discussion.