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Crystal and molecular structure of 1-amino-4-methoxycarbonyl-3-methyl-8-oxopyrazolo[1,5-a]pyrimidine monohydrate from laboratory powder dataстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Chernyshev V.V., Yatsenko A.V., Tafeenko V.A., Sonneveld E.J., Schenk H., Makarov V.A.
- Журнал: Powder Diffraction
- Том: 14
- Номер: 4
- Год издания: 1999
- Издательство: International Centre For Diffraction Data
- Местоположение издательства: United States
- Первая страница: 289
- Последняя страница: 292
- Аннотация: The crystal structure of 1-amino-4-methoxycarbonyl-3-methyl-8-oxopyrazolo[1,5-a]pyrimidine monohydrate, C9H10N4O3. H2O, from the family of pyrazolo[1,5-a]pyrimidines which demonstrate an activity against the influenzavirus A and coxsackievirus B3, has been determined from laboratory (Guinier-Johannson photograph) powder diffraction data using a grid search procedure. Parameters of the monoclinic cell (P2(1)/a, No. 14, Z=4) at 295 K are a=11.599(7) Angstrom, b=11.550(7) Angstrom, c=8.575(5) Angstrom, beta=110.76(4)degrees. Rietveld refinement (full-pattern-decomposition) gave chi(2) =4.8(4.5), R-p=0.038(0.043), R-wp=0.065(0.062). The observed microstrain-induced anisotropy of diffraction line broadening was approximated by a quartic form in h,k,l. The obtained results allowed to distinguish between several isomers which were indistinguishable by others methods. (C) 1999 International Centre for Diffraction Data. [S0885-7156(99)00602-8].
- Добавил в систему: Чернышев Владимир Васильевич