3-(4-Fluorophenyl)-1-[1′-(4-fluorophenyl)-2-oxo-5′,6′,7′,7a′-tetrahydro-1H-indole-3(2H)-spiro-3′(2′H)-1H′-pyrrolizin-2′-yl]prop-2-en-1-one

Abstract

Key indicators: single-crystal X-ray study; T = 293 K; mean (C-C) = 0.003 Å; disorder in main residue; R factor = 0.049; wR factor = 0.169; data-to-parameter ratio = 18.8.In the title compound, C 29 H 24 F 2 N 2 O 2 , one of the pyrrolidine rings of the pyrrolizine system is disordered over two sites, with occupancy factors 0.734:0.266 (12). Both components of the disordered pyrrolidine ring adopt envelope conformations, whereas the other pyrrolidine ring adopts a twist conformation. The molecules are linked into centrosymmetric dimers by N-HÁ Á ÁO hydrogen bonds and the dimers are connected via C-HÁ Á Á interactions. The crystal structure is also stabilized by intermolecular C-HÁ Á ÁF hydrogen bonds. Related literature

Ethyl 8,13-dioxa-21-azapentacyclo[18.5.1.02,7.014,19.021,25]hexacosa-2(7),3,5,14,16,18-hexaene-26-carboxylate

“…1) the bond lengths and angles are comparable to the corresponding values as observed in a related structure (Nirmala et al, 2008). The pyrrolizine ring system is folded about the bridging N1-C4 bond, as observed in related structure (Nirmala et al, 2008). The two benzene rings (C8-C13 and C18-C23) make dihedral angles of 71.7 (1)° and 55.3 (1)°, respectively, with respect to the pyrrolizine ring system; the dihedral angle between the two benzene rings is 36.6 (1)°.…”

“…In the title compound ( Fig. 1) the bond lengths and angles are comparable to the corresponding values as observed in a related structure (Nirmala et al, 2008). The pyrrolizine ring system is folded about the bridging N1-C4 bond, as observed in related structure (Nirmala et al, 2008).…”