Crystal structure, Hirshfeld surface analysis and DFT study of N-(2-amino-5-methyl­phen­yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide

Autor: Nadeem Abad, Joel T. Mague, Karim Chkirate, G. Al Ati, El Mokhtar Essassi, R. Achour

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications
Acta Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 6, Pp 638-642 (2021)

The title mol­ecule adopts an angular conformation. In the crystal, N—H⋯O and N—H⋯N hydrogen bonds together with C—H⋯π(ring) inter­actions form chains extending along the a-axis direction. Additional N—H⋯O hydrogen bonds link the c

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http://europepmc.org/articles/PMC8183437

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Crystal structure, Hirshfeld surface analysis and DFT study of 1-ethyl-3-phenyl-1,2-di-hydro-quinoxalin-2-one.

Autor: Al Ati G; Laboratory of Heterocyclic Organic Chemistry URAC 21, Pharmacochemistry Competence Center, Av. Ibn Battouta, BP 1014, Faculty of Sciences, Mohammed V University, Rabat, Morocco., Chkirate K; Laboratory of Heterocyclic Organic Chemistry URAC 21, Pharmacochemistry Competence Center, Av. Ibn Battouta, BP 1014, Faculty of Sciences, Mohammed V University, Rabat, Morocco., Mashrai A; Department of Pharmacy, University of Science and Technology, Ibb Branch, Ibb, Yemen., Mague JT; Department of Chemistry, Tulane University, New Orleans, LA 70118, USA., Ramli Y; Laboratory of Medicinal Chemistry, Drug Sciences Research Center, Faculty of Medicine and Pharmacy, Mohammed V University in Rabat, Morocco., Achour R; Laboratory of Heterocyclic Organic Chemistry URAC 21, Pharmacochemistry Competence Center, Av. Ibn Battouta, BP 1014, Faculty of Sciences, Mohammed V University, Rabat, Morocco., Essassi EM; Laboratory of Heterocyclic Organic Chemistry URAC 21, Pharmacochemistry Competence Center, Av. Ibn Battouta, BP 1014, Faculty of Sciences, Mohammed V University, Rabat, Morocco.

Publikováno v: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2021 Jan 01; Vol. 77 (Pt 1), pp. 18-22. Date of Electronic Publication: 2021 Jan 01 (Print Publication: 2021).