Реферат: X-Ray diffraction analysis was performed of 1-amino-X-pyrazinium mesitylenesulfonates (X = H, 2-NH2, 3-NHCOMe, 3-OMe, 3-Cl). In all events save 1,2-diaminopyrazinium cation the bond length of N-NH2 was shorter than that of N-N bond but considerably longer than the length of the double bond N=N. In the 1,2-diaminopyrazinium cation the bond distance C-2-NH2 was close to the length of a common double bond C=N indicating the iminium character of the cation. Quantum-chemical calculations [AMI, PM3, DFT/(PBE/3z), B3LYP/6-3]G++(2d,p)] provided the geometry of cations similar to the experimental one. In the crystals under investigation motifs were observed of 0D, 1D, and 2D type mainly due to hydrogen bonds N-H center dot center dot center dot O and pi-stacking interactions of the aromatic rings.

Библиографическая ссылка: Andreev R.V. , Borodkin G.I. , Vorob'ev A.Y. , Gatilov Y.V. , Shubin V.G.
Molecular and crystal structure of 1-amino-X-pyrazinium mesitylenesulfonates
Russian Journal of Organic Chemistry. 2008. V.44. N2. P.292-301. DOI: 10.1134/S1070428008020188 WOS Scopus РИНЦ

Оригинальная версия: Андреев Р.В. , Бородкин Г.И. , Воробьев А.Ю. , Гатилов Ю.В. , Шубин В.Г.
Молекулярная и кристаллическая структура 1-амино-х-пиразиний мезитиленсульфонатов
Журнал органической химии (RUSS J ORG CHEM+). 2008. Т.44. №2. С.296-304. РИНЦ

Даты:

Опубликована в печати:	1 февр. 2008 г.
Опубликована online:	19 янв. 2011 г.

Идентификаторы:

Web of science	WOS:000254140900018
Scopus	2-s2.0-43249113901
РИНЦ	13585273
OpenAlex	W2045841056

Альметрики: