N, N'-[1,4-Phenyl-enebis(imino-carbon-yl)]bis-(l-phenyl-alanine) tetra-hydro-furan disolvate

Abstract

The title compound, C₂₆H₂₆N₄O₆·2C₄H₈O, representing a bis-urea with terminal phenyl-alanine units, crystallized with two tetra-hydro-furan (THF) mol-ecules. The main mol-ecule is located on a crystallographic twofold axis, while the solvent mol-ecule is disordered over two positions, with occupancies of 0.571 (15) and 0.429 (15). The host mol-ecules are linked by N-H⋯O=C hydrogen bonds and C-H⋯O contacts with R ₂ ¹(6) and R ₂ ¹(7) ring motifs. The THF mol-ecules enclosed in the crystal are connected to the bis-urea compound via O-H⋯O and C-H⋯O inter-actions.

Keywords: amino acid; crystal structure; hydrogen bonding; tetra­hydro­furan solvate; urea.

Figure 1

The mol­ecular structure of the title compound, including the atom-numbering scheme. Atoms are drawn with displacement ellipsoids at the 50% probability level. The intra­molecular C—H⋯O inter­action, as well as the inter­molecular hydrogen bonding between the carb­oxy group and the THF mol­ecule, are shown as dashed lines. Both disordered parts (57:43) of the THF mol­ecule are displayed. Unlabelled atoms are generated by the symmetry operation −x + 1, −y, z.

Figure 2

Excerpt of the crystal packing showing the (6) and (7) ring motifs of the N—H⋯O=C and C—H⋯O=C(OH) inter­actions drawn as dashed lines. The THF mol­ecules and the H atoms not involved in the inter­actions have been omitted for clarity.