Research data on the crystal structure of N⁶-Cbz-L-lysine is relatively limited, but its crystal structure can be analyzed to a certain extent based on its chemical structure and related crystallographic principles, as detailed below:
Molecular structure basis: The chemical formula of N⁶-Cbz-L-lysine is C₁₄H₂₀N₂O₄. It is a derivative of L-lysine, where the ε-amino group (N⁶) is protected by a benzyloxycarbonyl (Cbz) group. L-lysine itself is an α-amino acid with a central carbon atom linked to a carboxyl group and an amino group, as well as a long side chain. In N⁶-Cbz-L-lysine, the benzyloxycarbonyl group is attached to the amino group at the end of this side chain.
Spatial structure characteristics: From a spatial perspective, N⁶-Cbz-L-lysine has a specific stereoconfiguration due to the presence of a chiral center, with the configuration of the chiral center being L-type. The benzyloxycarbonyl moiety in the molecule has a certain rigidity and steric hindrance, which affects the spatial arrangement of the entire molecule. The benzene ring portion, located at the end of the side chain, may form interactions such as π-π stacking in the crystal, while the carboxyl and amino groups may participate in the formation of intermolecular forces like hydrogen bonds, thereby influencing the packing mode of the crystal.
Crystal packing mode: In the crystal, N⁶-Cbz-L-lysine molecules may form hydrogen bonds through carboxyl and amino groups, connecting into one-dimensional chain structures or two-dimensional layered structures. Meanwhile, π-π stacking interactions may exist between the benzene rings of the benzyloxycarbonyl groups, further stabilizing the crystal structure. In addition, van der Waals forces may exist in the hydrocarbon chain portion of the molecule. These intermolecular forces collectively determine the three-dimensional packing mode of the crystal, leading to the formation of a specific crystal structure.
Related crystallographic parameters: Currently, there are no published reports on detailed crystallographic parameters (such as unit cell parameters, space groups, etc.) specifically for N⁶-Cbz-L-lysine. However, referring to the crystal structures of similar amino acid derivatives, it may belong to common crystal systems such as orthorhombic or monoclinic, with possible space groups like P2₁ or Pca2₁. The unit cell may contain multiple molecules, and specific parameters need to be accurately determined through experimental methods such as X-ray single-crystal diffraction.
