Crystal structure and Hirshfeld surface analysis of (aqua-κ O)(methanol-κ O)[ N-(2-oxido-benzyl-idene)threoninato-κ3 O, N, O']copper(II)

Natsuki Katsuumi; Yuika Onami; Sayantan Pradhan; Tomoyuki Haraguchi; Takashiro Akitsu

doi:10.1107/S2056989020011706

Crystal structure and Hirshfeld surface analysis of (aqua-κ O)(methanol-κ O)[ N-(2-oxido-benzyl-idene)threoninato-κ³ O, N, O']copper(II)

Acta Crystallogr E Crystallogr Commun. 2020 Aug 28;76(Pt 9):1539-1542. doi: 10.1107/S2056989020011706. eCollection 2020 Sep 1.

Authors

Natsuki Katsuumi¹, Yuika Onami¹, Sayantan Pradhan², Tomoyuki Haraguchi¹, Takashiro Akitsu¹

Affiliations

¹ Department of Chemistry, Faculty of Science, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601, Japan.
² Chemical Sciences Division, Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700-064, India.

Abstract

In the title complex mol-ecule, [Cu(C₁₁H₁₁NO₄)(CH₄O)(H₂O)], the Cu atom is coordinated in a distorted square-pyramidal geometry by a tridentate ligand synthesized from l-threonine and salicyl-aldehyde, one methanol mol-ecule and one water mol-ecule. In the crystal, the mol-ecules show intra- and inter-molecular O-H⋯O hydrogen bonds. The Hirshfeld surface analysis indicates that the most important contributions to the packing are H⋯H (49.4%) and H⋯O/O⋯H (31.3%) contacts.

Keywords: Hirshfeld analysis; Schiff base complex; amino acid; copper; crystal structure.

Grants and funding

This work was funded by Japan Society for the Promotion of Science grant KAKENHI (20H00336).