Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-meth­­oxy­phen­yl)picolinamide

TitleSynthesis, crystal structure and Hirshfeld surface analysis of N-(4-meth­­oxy­phen­yl)picolinamide
Publication TypeJournal Article
Year of Publication2024
AuthorsBurieva, D, Torambetov, B, Bobonazarova, S, Abdushukurov, A, Kholikov, T, Khan, AA, Ashurov, J, Yusufov, M
JournalActa Crystallographica Section E: Crystallographic Communications
Volume80
Issue12
Pagination1293-1297
Date PublishedDEC
Type of ArticleArticle
Abstract

The synthesis, crystal structure, and Hirshfeld surface analysis of N-(4-meth­oxy­phen­yl)picolinamide (MPPA), C13H12N2O2, are presented. MPPA crystallizes in the monoclinic space group P21/n, with a single mol­ecule in the asymmetric unit. Structural analysis reveals that all non-hydrogen atoms are nearly coplanar, and the mol­ecule exhibits two intra­molecular hydrogen bonds that stabilize its conformation. Supra­molecular features include significant inter­molecular inter­actions, primarily C—H⋯π and various hydrogen bonds, contributing to the overall crystal cohesion, as confirmed by energy framework calculations yielding a total inter­action energy of −138.3 kJ mol−1. Hirshfeld surface analysis indicates that H⋯H inter­actions dominate, followed by C⋯H and O⋯H inter­actions, highlighting the role of van der Waals forces and hydrogen bonding in crystal packing.

DOI10.1107/S2056989024010843
Type of Journal (Indian or Foreign)

Foreign

Divison category: 
Physical and Materials Chemistry
Database: 
Web of Science (WoS)

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