Synthesis, crystal structure and Hirshfeld surface analysis of [Cu(NO3)2{8-methylphenanthridin-6(5H)-one}4]

Atash V. Gurbanov; Tuncer Hökelek; Menberu Mengesha Woldemariam

doi:10.1107/S2056989025009892

Synthesis, crystal structure and Hirshfeld surface analysis of [Cu(NO₃)₂{8-methylphenanthridin-6(5H)-one}₄]

Atash V. Gurbanov
, Tuncer Hökelek
, Menberu Mengesha Woldemariam

Hacettepe University

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

Abstract

The asymmetric unit of the title compound, tetrakis[8-methylphenanthridin-6(5H)-one-κO]bis(nitrato-κO)copper(II), [Cu(NO3)2(C14H11NO)4], contains one CuII cation located on a centre of symmetry, two 8-methylphenanthridin-6(5H)-one (MPHNT) ligands and one nitrate anion, where the CuII atom is in a slightly distorted octahedral environment. Intramolecular N - H⋯O hydrogen bonds are observed. In the crystal, C - H⋯O hydrogen bonds link the molecules, enclosing S(6), S(9) and R44(18) ring motifs. In addition π-π interactions with centroid-to-centroid distances of 3.808 (2) Å and also a series of C - H⋯π(ring) interactions help to consolidate the packing in a three-dimensional architecture within the crystal. A Hirshfeld surface analysis revealed that the most important contributions for the crystal packing are from H⋯H (41.1%), H⋯C/C⋯H (29.9%), H⋯O/O⋯H (14.8%) and C⋯C (10.0%) interactions.

Original language	English
Pages (from-to)	1140-1143
Number of pages	4
Journal	Acta Crystallographica Section E: Crystallographic Communications
Volume	81
DOIs	https://doi.org/10.1107/S2056989025009892
Publication status	Published - 1 Dec 2025

Keywords

N-containing compounds
copper complexes
crystal structure
non-covalent interactions

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10.1107/S2056989025009892

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title = "Synthesis, crystal structure and Hirshfeld surface analysis of [Cu(NO3)2\{8-methylphenanthridin-6(5H)-one\}4]",

abstract = "The asymmetric unit of the title compound, tetrakis[8-methylphenanthridin-6(5H)-one-κO]bis(nitrato-κO)copper(II), [Cu(NO3)2(C14H11NO)4], contains one CuII cation located on a centre of symmetry, two 8-methylphenanthridin-6(5H)-one (MPHNT) ligands and one nitrate anion, where the CuII atom is in a slightly distorted octahedral environment. Intramolecular N - H⋯O hydrogen bonds are observed. In the crystal, C - H⋯O hydrogen bonds link the molecules, enclosing S(6), S(9) and R44(18) ring motifs. In addition π-π interactions with centroid-to-centroid distances of 3.808 (2) {\AA} and also a series of C - H⋯π(ring) interactions help to consolidate the packing in a three-dimensional architecture within the crystal. A Hirshfeld surface analysis revealed that the most important contributions for the crystal packing are from H⋯H (41.1\%), H⋯C/C⋯H (29.9\%), H⋯O/O⋯H (14.8\%) and C⋯C (10.0\%) interactions.",

keywords = "N-containing compounds, copper complexes, crystal structure, non-covalent interactions",

author = "Gurbanov, \{Atash V.\} and Tuncer H{\"o}kelek and Woldemariam, \{Menberu Mengesha\}",

note = "Publisher Copyright: {\textcopyright} 2025 Gurbanov et al.",

year = "2025",

month = dec,

day = "1",

doi = "10.1107/S2056989025009892",

language = "English",

volume = "81",

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

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publisher = "International Union of Crystallography",

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T1 - Synthesis, crystal structure and Hirshfeld surface analysis of [Cu(NO3)2{8-methylphenanthridin-6(5H)-one}4]

AU - Gurbanov, Atash V.

AU - Hökelek, Tuncer

AU - Woldemariam, Menberu Mengesha

PY - 2025/12/1

Y1 - 2025/12/1

N2 - The asymmetric unit of the title compound, tetrakis[8-methylphenanthridin-6(5H)-one-κO]bis(nitrato-κO)copper(II), [Cu(NO3)2(C14H11NO)4], contains one CuII cation located on a centre of symmetry, two 8-methylphenanthridin-6(5H)-one (MPHNT) ligands and one nitrate anion, where the CuII atom is in a slightly distorted octahedral environment. Intramolecular N - H⋯O hydrogen bonds are observed. In the crystal, C - H⋯O hydrogen bonds link the molecules, enclosing S(6), S(9) and R44(18) ring motifs. In addition π-π interactions with centroid-to-centroid distances of 3.808 (2) Å and also a series of C - H⋯π(ring) interactions help to consolidate the packing in a three-dimensional architecture within the crystal. A Hirshfeld surface analysis revealed that the most important contributions for the crystal packing are from H⋯H (41.1%), H⋯C/C⋯H (29.9%), H⋯O/O⋯H (14.8%) and C⋯C (10.0%) interactions.

AB - The asymmetric unit of the title compound, tetrakis[8-methylphenanthridin-6(5H)-one-κO]bis(nitrato-κO)copper(II), [Cu(NO3)2(C14H11NO)4], contains one CuII cation located on a centre of symmetry, two 8-methylphenanthridin-6(5H)-one (MPHNT) ligands and one nitrate anion, where the CuII atom is in a slightly distorted octahedral environment. Intramolecular N - H⋯O hydrogen bonds are observed. In the crystal, C - H⋯O hydrogen bonds link the molecules, enclosing S(6), S(9) and R44(18) ring motifs. In addition π-π interactions with centroid-to-centroid distances of 3.808 (2) Å and also a series of C - H⋯π(ring) interactions help to consolidate the packing in a three-dimensional architecture within the crystal. A Hirshfeld surface analysis revealed that the most important contributions for the crystal packing are from H⋯H (41.1%), H⋯C/C⋯H (29.9%), H⋯O/O⋯H (14.8%) and C⋯C (10.0%) interactions.

KW - N-containing compounds

KW - copper complexes

KW - crystal structure

KW - non-covalent interactions

UR - https://www.scopus.com/pages/publications/105025894042

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DO - 10.1107/S2056989025009892

M3 - Article

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SN - 2056-9890

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JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

ER -

Synthesis, crystal structure and Hirshfeld surface analysis of [Cu(NO₃)₂{8-methylphenanthridin-6(5H)-one}₄]

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