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

Manuel Stapf; Anke Schwarzer

doi:10.1107/S2414314623007435

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

IUCrdata. 2023 Sep 8;8(Pt 9):x230743. doi: 10.1107/S2414314623007435. eCollection 2023 Sep.

Authors

Manuel Stapf¹, Anke Schwarzer¹

Affiliation

¹ Institut für Organische Chemie, Technische Universität Bergakademie Freiberg, Leipziger Strasse 29, 09599 Freiberg, Germany.

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.

Grants and funding

Open Access Funding by the Publication Fund of the TU Bergakademie Freiberg.