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High-throughput crystallization and crystal structure of N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-methylbenzamide: a benzamide bearing the 4-aminoantipyrine moiety

Lookup NU author(s): Dr Paul Waddell, Dr Michael HallORCiD

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This work is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0).

Abstract

A recent communication on Ru-catalyzed C—H bond arylation with 4-aminoantipyrine (AP) reported the synthesis of AP benzamides. In order to provide additional support to the published structures of AP benzamides, crystallization by high-throughput (HTP) encapsulated nanodroplet crystallization (ENaCt) was undertaken. This allowed for conclusive structure determination by single crystal X-ray diffraction analysis (SCXRD). This article describes the crystallization and X-ray crystal structure of N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-methylbenzamide, C₁₉H₁₉N₃O₂, as a benzamide bearing 4-aminoantipyrine, providing structural confirmation. X-ray structureanalysis reveals intermolecular hydrogen-bonding interactions between the AP benzamide N—H proton and the carbonyl O atom of the AP moiety.

Publication metadata

Author(s): Al Mamari HH, Al Sulaimi S, Mardiana L, Waddell PG, Hall MJ

Publication type: Article

Publication status: Published

Journal: Acta Crystallographica Section C: Structural Chemistry

Year: 2024

Volume: 80

Issue: 12

Online publication date: 20/11/2024

Acceptance date: 12/11/2024

Date deposited: 22/11/2024

ISSN (electronic): 2053-2296

Publisher: Wiley-Blackwell Publishing, Inc.

URL: https://doi.org/10.1107/S2053229624010982

DOI: 10.1107/S2053229624010982

ePrints DOI: 10.57711/ndw9-c832

Data Access Statement: Supporting information is available alongside the publication on the publisher’s page.

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