Crystal structure and Hirshfeld surface analysis of aqua(1<i>H</i>-imidazole-κ<i>N</i> <sup>3</sup>)[<i>N</i>-(2-oxidobenzylidene)threonato-κ<sup>3</sup> <i>O</i>,<i>N</i>,<i>O</i>′]zinc(II)

The title complex, [Zn(C<sub>11</sub>H<sub>11</sub>NO<sub>4</sub>)(C<sub>3</sub>H<sub>4</sub>N<sub>2</sub>)(H<sub>2</sub>O)], which includes a tridentate ligand, was synthesized from l-threonine and salicyl-aldehyde. One water mol-ecule and one imidazole mol-ecule additionally coordinate the zinc(II) center in a distorted trigonal-bipyramidal geometry. The crystal structure features N-H⋯O and O-H⋯O hydrogen bonds. A Hirshfeld surface analysis indicates that the most important contributions to the packing are from H⋯H/H⋯H (50.7%) and O⋯H/H⋯O (25.0%) contacts.

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Publication Details

Journal
Acta Crystallographica Section E Crystallographic Communications
Published
2025-03-25
DOI
https://doi.org/10.1107/s2056989025002385
Primary Topic
Crystal structures of chemical compounds
Type
article
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article

Crystal structure and Hirshfeld surface analysis of aqua(1H-imidazole-κN 3)[N-(2-oxidobenzylidene)threonato-κ3 O,N,O′]zinc(II)

Takashiro Akitsu, Daisuke Nakane, Anna Okui, Fumishi Yoshizawa
Acta Crystallographica Section E Crystallographic Communications
Crystal structures of chemical compounds
article

Crystal structure and Hirshfeld surface analysis of aqua(1H-imidazole-κN 3)[N-(2-oxidobenzylidene)threonato-κ3 O,N,O′]zinc(II)

Takashiro Akitsu, Daisuke Nakane, Anna Okui, Fumishi Yoshizawa
article en

Abstract

The title complex, [Zn(C<sub>11</sub>H<sub>11</sub>NO<sub>4</sub>)(C<sub>3</sub>H<sub>4</sub>N<sub>2</sub>)(H<sub>2</sub>O)], which includes a tridentate ligand, was synthesized from l-threonine and salicyl-aldehyde. One water mol-ecule and one imidazole mol-ecule additionally coordinate the zinc(II) center in a distorted trigonal-bipyramidal geometry. The crystal structure features N-H⋯O and O-H⋯O hydrogen bonds. A Hirshfeld surface analysis indicates that the most important contributions to the packing are from H⋯H/H⋯H (50.7%) and O⋯H/H⋯O (25.0%) contacts.

Acta Crystallographica Section E Crystallographic CommunicationsVol. 81(4)
Tokyo University of Science (JP)
Clean water and sanitation
Openalex Percentile: Top 95%
Crystal structures of chemical compounds
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