Crystal structure and Hirshfeld surface analysis of (aqua-κ O)(methanol-κ O)[ N -(2-oxido­benzyl­idene)threoninato-κ 3 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-oxidobenzylidene)threoninato-κ 3 O, N, O ′]copper(II)

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

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

8 Citations (Scopus)

Abstract

In the title complex molecule, [Cu(C 11 H 11 NO 4)(CH 4 O)(H 2 O)], the Cu atom is coordinated in a distorted square-pyramidal geometry by a tridentate ligand synthesized from l-threonine and salicylaldehyde, one methanol molecule and one water molecule. In the crystal, the molecules show intra- and intermolecular 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.

Original language	English
Pages (from-to)	1539-1542
Number of pages	4
Journal	Acta Crystallographica Section E: Crystallographic Communications
Volume	76
DOIs	https://doi.org/10.1107/S2056989020011706
Publication status	Published - 1 Sept 2020

Keywords

Hirshfeld analysis
Schiff base complex
amino acid
copper
crystal structure

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10.1107/S2056989020011706

Cite this

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title = "Crystal structure and Hirshfeld surface analysis of (aqua-κ O)(methanol-κ O)[ N -(2-oxidobenzylidene)threoninato-κ 3 O, N, O ′]copper(II)",

abstract = "In the title complex molecule, [Cu(C 11 H 11 NO 4)(CH 4 O)(H 2 O)], the Cu atom is coordinated in a distorted square-pyramidal geometry by a tridentate ligand synthesized from l-threonine and salicylaldehyde, one methanol molecule and one water molecule. In the crystal, the molecules show intra- and intermolecular 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",

author = "Natsuki Katsuumi and Yuika Onami and Sayantan Pradhan and Tomoyuki Haraguchi and Takashiro Akitsu",

year = "2020",

month = sep,

day = "1",

doi = "10.1107/S2056989020011706",

language = "English",

volume = "76",

pages = "1539--1542",

journal = "Acta Crystallographica Section E: Crystallographic Communications",

issn = "2056-9890",

publisher = "International Union of Crystallography",

}

Crystal structure and Hirshfeld surface analysis of (aqua-κ O)(methanol-κ O)[ N -(2-oxidobenzylidene)threoninato-κ 3 O, N, O ′]copper(II). / Katsuumi, Natsuki; Onami, Yuika; Pradhan, Sayantan et al.
In: Acta Crystallographica Section E: Crystallographic Communications, Vol. 76, 01.09.2020, p. 1539-1542.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Crystal structure and Hirshfeld surface analysis of (aqua-κ O)(methanol-κ O)[ N -(2-oxidobenzylidene)threoninato-κ 3 O, N, O ′]copper(II)

AU - Katsuumi, Natsuki

AU - Onami, Yuika

AU - Pradhan, Sayantan

AU - Haraguchi, Tomoyuki

AU - Akitsu, Takashiro

PY - 2020/9/1

Y1 - 2020/9/1

N2 - In the title complex molecule, [Cu(C 11 H 11 NO 4)(CH 4 O)(H 2 O)], the Cu atom is coordinated in a distorted square-pyramidal geometry by a tridentate ligand synthesized from l-threonine and salicylaldehyde, one methanol molecule and one water molecule. In the crystal, the molecules show intra- and intermolecular 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.

AB - In the title complex molecule, [Cu(C 11 H 11 NO 4)(CH 4 O)(H 2 O)], the Cu atom is coordinated in a distorted square-pyramidal geometry by a tridentate ligand synthesized from l-threonine and salicylaldehyde, one methanol molecule and one water molecule. In the crystal, the molecules show intra- and intermolecular 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.

KW - Hirshfeld analysis

KW - Schiff base complex

KW - amino acid

KW - copper

KW - crystal structure

UR - https://www.scopus.com/pages/publications/85092028451

U2 - 10.1107/S2056989020011706

DO - 10.1107/S2056989020011706

M3 - Article

AN - SCOPUS:85092028451

SN - 2056-9890

VL - 76

SP - 1539

EP - 1542

JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

ER -

Crystal structure and Hirshfeld surface analysis of (aqua-κ O)(methanol-κ O)[ N -(2-oxidobenzylidene)threoninato-κ 3 O, N, O ′]copper(II)

Abstract

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Crystal structure and Hirshfeld surface analysis of (aqua-κ O)(methanol-κ O)[ N -(2-oxido­benzyl­idene)threoninato-κ 3 O, N, O ′]copper(II)

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Crystal structure and Hirshfeld surface analysis of (aqua-κ O)(methanol-κ O)[ N -(2-oxidobenzylidene)threoninato-κ 3 O, N, O ′]copper(II)