title: Crystal structure of 2,2''-bis-(2,7-di-chloro-9-hy-droxy-9H-fluoren-9-yl)-1,1':4',1''-terphenyl tri-ethyl-amine trisolvate.
abstract: In the title solvate, C44H26Cl4O2·3C6H15N, the asymmetric part of the unit cell comprises two halves of the diol mol-ecules, 2,2''-bis-(2,7-di-chloro-9-hy-droxy-9H-fluoren-9-yl)-1,1':4',1''-terphenyl, and three mol-ecules of tri-ethyl-amine, i. e. the diol mol-ecules are located on crystallographic symmetry centres. Two of the solvent mol-ecules are disordered over two positions [occupancy ratios of 0.567 (3):0.433 (3) and 0.503 (3):0.497 (3)]. In the diol mol-ecules, the outer rings of the 1,1':4',1''-terphenyl elements are twisted with reference to their central arene ring and the mean planes of the fluorenyl moieties are inclined with respect to the terphenyl ring to which they are connected, the latter making dihedral angles of 82.05 (8) and 82.28 (8)°. The presence of two 9-fluoren-9-ol units attached at positions 2 and 2'' of the terphenyl moiety induces a 'folded' geometry which is stabilized by intra-molecular C-H⋯O hydrogen bonds and π-π stacking inter-actions, the latter formed between the fluorenyl units and the central ring of the terphenyl unit [centroid-centroid distances = 3.559 (1) and 3.562 (1) Å]. The crystal is composed of 1:2 complex units, in which the solvent mol-ecules are associated with the diol mol-ecules via O-H⋯N hydrogen bonds, while the remaining solvent mol-ecule is linked to the host by a C-H⋯N hydrogen bond. The given pattern of inter-molecular inter-actions results in formation of chain structures extending along [010].
authors: Institut für Organische Chemie, TU Bergakademie Freiberg, Leipziger Strasse 29, D-09596 Freiberg/Sachsen, Germany.
authors: Henrik
authors: H
authors: Klien
authors: Institut für Organische Chemie, TU Bergakademie Freiberg, Leipziger Strasse 29, D-09596 Freiberg/Sachsen, Germany.
authors: Wilhelm
authors: W
authors: Seichter
authors: Institut für Organische Chemie, TU Bergakademie Freiberg, Leipziger Strasse 29, D-09596 Freiberg/Sachsen, Germany.
authors: Edwin
authors: E
authors: Weber
keywords: 2,2′-disubstituted 1,1′:4′,1′′-terphen­yl; compound synthesis; crystal structure; hydrogen bonding; tri­ethyl­amine solvate