Structural investigation and Hirshfeld surface analysis of N-(3-chloro-4-methylphenyl)-2-(3-nitrobenzamido)benzamide

ЖСХ, т.64, №6, 2023, 112178

Received: March, 19, 2023
Revised: April, 23, 2023
Accepted for publication: April, 24, 2023
DOI 10.26902/JSC_id112178
EDN: VJWAGO
Views: 110

¹ Department of Chemistry, College of Education, Salahaddin University, Erbil, Iraq

² Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, Kurupelit, Samsun, Turkey

³ Department of Fundamental Sciences, Faculty of Engineering, Samsun University, Samsun, Turkey

A new synthesis of N-(3-chloro-4-methylphenyl)-2-(3-nitrobenzamido)benzamide was developed in acetic acid as a solvent using the reaction of 3-choloro-4-methylaniline, and 2-(3-nitrophenyl)-4H-benzo-[1,3]oxazin-4-one. This method proved to be efficient in the synthesis of the bis amide compound in good yields and purity. The compound, C₂₁H₁₆ClN₃O₄, was characterized by single-crystal XRD, IR, ¹H NMR, and ¹³C NMR spectroscopic studies. In the crystal, the molecules are linked by N—H⋯O and C—H⋯O hydrogen bonds. There are also weak π⋯π interactions in the compound form a layer structure parallel to the bc plane. In addition, Hirshfeld surface analysis was carried out to investigate the location of atoms with the potential to form hydrogen bonds and the numerical ratio of these interactions of the compound.

Keywords: amide, nitrobenzamido, oxazine, crystal structure, Hirshfeld surface

Импакт-фактор 2023 1.2
Срок опубликования 4 мес

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