Molecular structure of germylcyclopentadiene in the crystalline phase at 160 K and in the gas phase

Abstract

The molecular structure of the title compound GeH₃(C₅H₅) has been determined by X-ray and electron diffraction in the solid and gas phases respectively. Principal bond lengths (r_a) in the gas-phase structure are: Ge–C(1) 1.969(5), C(1)–C(2) 1.478(13), C(2)–C(3) 1.350(5), and C(3)–C(4) 1.468(22)Å. Crystals of compound (at 160 K) are monoclinic with a= 4.90, b= 9.54, c= 13.11 Å, β= 98.4°[estimated standard deviations (e.s.d.s) 0.3% assumed], space group P2₁/c, and Z= 4. The structure has been determined and refined to R= 0.049 using 713 unique intensities obtained from microdensitometer measurements of the Weissenberg levels h0–6land hk0–7 taken with Cu-K_α radiation. The Ge–C(1) distance is 1.965(9)Å; The C–C ring distances taken cyclically from C(1) are 1.49, 1.35, 1.44, 1.34, and 1.46 (e.s.d.s ≈ 0.013)Å. In both phases the ring is essentially planar, with ring angles close to 109° at all carbon atoms except C(1), where the angle is 104.0(7)(solid phase) or 100(3)°(gas phase).