Crystal Structures and Physicochemical Properties of 3-Chloro-4-hydroxyphenylacetic Acid Salts with Amines DOI Creative Commons

Remi Rolland Ngoma Tchibouanga,

Ayesha Jacobs

Molecules, Год журнала: 2023, Номер 28(19), С. 6965 - 6965

Опубликована: Окт. 7, 2023

3-chloro-4-hydroxyphenylacetic acid (CHPAA) is a fungal metabolite. It small molecule that useful in crystal engineering studies due to the functional groups present. Six amines were selected form salts with CHPAA. Linear derivatives included diethylamine (DEA) and di-N-butylamine (DBM). The aromatic compounds chosen 2-aminopyridine (A2MP), 2-amino-4-methylpyridine (A24MP), 2-amino-6-methylpyridine (A26MP) 4-dimethylaminopyridine (DMAP). characterised using single-crystal X-ray diffraction, thermal analysis, FTIR spectroscopy Hirshfeld surface analysis. For all structures, N-H···O C-H···Cl contacts O-H···O found structures except for (CHPAA2-)2DEA+, which was also only structure displayed Cl···Cl contact. Furthermore, C-H···O (CHPAA-)(DBM+). stability trend showed DBM salt more stable than DEA salt. co-formers, following: CHPAA-(DMAP+) > (CHPAA-)(A2MP+)>2CHPAA-2A26MP+>(CHPAA-)(A24MP+).

Язык: Английский

Dual Fungicides Cocrystal of Thiophanate-Methyl and Fludioxonil: Theoretical Calculation and Solubility Studies DOI

Xiao‐Wen Zhang,

Zhouyu Jiang, Mingzhu Yang

и другие.

Journal of Molecular Structure, Год журнала: 2024, Номер 1322, С. 140681 - 140681

Опубликована: Ноя. 8, 2024

Язык: Английский

Процитировано

0

Crystal Structures and Physicochemical Properties of 3-Chloro-4-hydroxyphenylacetic Acid Salts with Amines DOI Creative Commons

Remi Rolland Ngoma Tchibouanga,

Ayesha Jacobs

Molecules, Год журнала: 2023, Номер 28(19), С. 6965 - 6965

Опубликована: Окт. 7, 2023

3-chloro-4-hydroxyphenylacetic acid (CHPAA) is a fungal metabolite. It small molecule that useful in crystal engineering studies due to the functional groups present. Six amines were selected form salts with CHPAA. Linear derivatives included diethylamine (DEA) and di-N-butylamine (DBM). The aromatic compounds chosen 2-aminopyridine (A2MP), 2-amino-4-methylpyridine (A24MP), 2-amino-6-methylpyridine (A26MP) 4-dimethylaminopyridine (DMAP). characterised using single-crystal X-ray diffraction, thermal analysis, FTIR spectroscopy Hirshfeld surface analysis. For all structures, N-H···O C-H···Cl contacts O-H···O found structures except for (CHPAA2-)2DEA+, which was also only structure displayed Cl···Cl contact. Furthermore, C-H···O (CHPAA-)(DBM+). stability trend showed DBM salt more stable than DEA salt. co-formers, following: CHPAA-(DMAP+) > (CHPAA-)(A2MP+)>2CHPAA-2A26MP+>(CHPAA-)(A24MP+).

Язык: Английский

Процитировано

0