Мақола

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

Dilnoza BurievaNational University of Uzbekistan named after Mirzo Ulugbek 4 University St Tashkent 100174 UzbekistanBаtirbаy TоrаmbеtоvNational University of Uzbekistan named after Mirzo Ulugbek 4 University St Tashkent 100174 UzbekistanSarvinoz BobonazarovaNational University of Uzbekistan named after Mirzo Ulugbek 4 University St Tashkent 100174 UzbekistanAnvar AbdushukurovNational University of Uzbekistan named after Mirzo Ulugbek 4 University St Tashkent 100174 UzbekistanTursinali KholikovNational University of Uzbekistan named after Mirzo Ulugbek 4 University St Tashkent 100174 UzbekistanAkram A KhanPhysical and Material Chemistry Division CSIR-National Chemical Laboratory,Pune 411008 IndiaJamshid AshurovInstitute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, M. Ulugbek, St, 83, Tashkent, 100125, UzbekistanMukhriddin YusufovNational University of Uzbekistan named after Mirzo Ulugbek 4 University St Tashkent 100174 Uzbekistan

Acta Crystallographica Section E Crystallographic Communicationsjournal2024en

ABI

Аннотация

The synthesis, crystal structure, and Hirshfeld surface analysis of N -(4-methoxyphenyl)picolinamide (MPPA), C 13 H 12 N 2 O 2 , are presented. MPPA crystallizes in the monoclinic space group P 2 1 / 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.

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Мавзулар

Crystal structures of chemical compounds Synthesis and biological activity Chemical Synthesis and Analysis

Идентификаторлар

DOI: 10.1107/s2056989024010843

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