Synthesis, crystal structure, Hirshfeld surface analysis, supramolecular and computational investigation the (E)-4-methoxy-2-(((2-methoxy-5-(trifluoromethyl)phenyl)imino)methyl)phenol compound

ЖСХ, т.65, №5, 2024, 126708

Received: October, 27, 2023
Revised: January, 19, 2024
Accepted for publication: January, 19, 2024
DOI 10.26902/JSC_id126708
EDN: BMMLGC
Views: 499

¹ Department of Physics, Faculty of Sciences, Ondokuz Mayıs University, Atakum, Samsun, Turkey

² Department of Physics, Faculty of Sciences, Sinop University, Sinop, Turkey

³ Department of Chemistry, Faculty of Sciences, Ondokuz Mayıs University, Atakum, Samsun, Turkey

⁴ Departamento de Química Inorganica, Facultade de Química, Universidade de Vigo, Vigo, Galicia, Spain

Crystallographic features of synthesized compound (E)-4-methoxy-2-(((2-methoxy-5-(trifluoromethyl)phenyl)imino)methyl)phenol have been investigated with Hirshfeld surface analysis and XRD method. The stability of the crystal packing primarily stemmed from N—H⋯O and C—H⋯O bonding interactions, further fortified by offset π⋯π stacking interactions. To delve into the supramolecular arrangement, Hirshfeld surface analysis was conducted, shedding light on the intricacies of the crystal packing. The synthesized compound's structure was determined through single crystal X-ray diffraction analysis, revealing its crystallization within the triclinic crystal system, space group P–1. Supramolecular assembly is explored by Hirshfeld surface analysis, and supramolecular geometric features of the title compound involve the compact arrangement of title molecules with each other. The properties of dispersion energy have been examined through studies on interaction energy and energy frameworks.

Keywords: Schiff base, X-ray diffraction method, Hirshfeld surface analysis, supramolecular geometric properties, interaction energy and energy frameworks

Импакт-фактор 2023 1.2
Срок опубликования 4 мес

Уважаемые авторы и подписчики “Журнала структурной химии”,
в свободном доступе
архив ЖСХ до 2020 года ("Номера").

Разместить рекламу в ЖСХ

Обзоры

Подать статью