Crystal structure of rilpivirine hydrochloride, N6H19C22Cl

Авторы: Buikin Petr, Korlyukov Alexander, Kulikova Elizaveta, Novikov Roman, Vologzhanina Anna
Журнал: Powder Diffraction
Год издания: 2024
Издательство: International Centre For Diffraction Data
Местоположение издательства: United States
Первая страница: 1
Последняя страница: 8
DOI: 10.1017/s0885715624000228
Аннотация: A monoclinic C form of rilpivirine hydrochloride, (N6H19C22)Cl, has been obtained and characterized using solid-state 15N, 13C, and 35Cl NMR spectroscopy and multitemperature synchrotron X-ray powder diffraction. The title compound crystallizes in the monoclinic system (space group C2/c, #15) at both room (295.0(2) K) and low (100.0(2) K) temperatures. At room temperature, the following parameters are a = 19.43051(3), b = 13.09431(14), c = 17.10254(18) Å, β = 109.3937(7), V = 4104.48(9) Å3, and Z = 8. The folded molecular conformation of the cation is similar with that of free base rilpivirine with the exception of cyanovinyl group disposition. The anion links cations to infinite chains parallel to the crystallographic c axis using N–H⋯Cl bonds where both amino groups and the protonated pyrimidine ring take part in the H-bonding. The powder patterns have been submitted to the ICDD for inclusion in the Powder Diffraction File
Добавил в систему: Вологжанина Анна Владимировна

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