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Crystal structure and Hirshfeld surface analysis of (aqua-?O)(methanol-?O)[N-(2-oxido-benzyl-idene)threoninato-?3 O,N,O']copper(II).

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.

SUBMITTER: Katsuumi N

PROVIDER: S-EPMC7472767 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature

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

Katsuumi Natsuki N Onami Yuika Y Pradhan Sayantan S Haraguchi Tomoyuki T Akitsu Takashiro T

Acta crystallographica. Section E, Crystallographic communications 20200828 Pt 9

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%) ...[more]

PMID: 32939315

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