Resumen

Phenyl substituted cycloprpanes. I. Trans - 2 - (p- Tolyl) cyclopropanoic acid.
(Belkis M., Ramírez V.; Rivera, Valentina; Rodulfo de Gil, Eldrys; Alonso Amelot, Miguel y Peckerar, Sarail) Resumen

C₁₁H₁₂O_2’ M_r = 176.215, orthorhombic, Pbcn, a = 22.197 (4) b = 10.104 (2) c = 8.595 (2) A, V = 1927.7 A³, Z = 8, D_m = 1.18, D_x =1.214 g cm³; λ(Mo Kα) = 0.71069 A, μ = 0.047 mm^-1, F(000) = 752, T = 298 K, R = 0.067 and wR = 0.074 for 689 unique reflections with I < 3 σ(I). The crystal structure consists of cyclic - COOH hydrogen-bonded dimmers arranged along a with the H atoms situated on a twofold axis equidistant from pairs of O atoms. The p-tolyl and carboxylate groups adopt bisected positions with respect to the cyclopropyl ring. The observed pattern of ring bond lengths is consistent with conjugative π-acceptor interactions involoving asymmetry parameters δ(tolyl) = -0.009 and δ(COOH) = - 0.026 A.

Artículo publicado en: Revista Acta Cryst (1990).