Тип публикации: статья из журнала
Год издания: 2019
Идентификатор DOI: 10.1016/j.molstruc.2018.09.035
Ключевые слова: 2-Thiobarbituric acid, Barbituric acid, Infrared spectroscopy, Thiourea, X-ray diffraction
Аннотация: Thiourea (Tu) crystallizes with barbituric acid (H2ba) and 2-thiobarbituric (H2tba) in the aqueous solution to yield co-crystals H2ba∙Tu (1) and H2tba∙Tu (2). Powder of 1 was also obtained from individual compounds via kneading with H2O. The structure of compounds was solved by the X-ray single crystal diffraction technique. In 1–2Показать полностью, N–H⋯O, N–H⋯S, C–H⋯S and C–H⋯O hydrogen bonds form the different 3D nets. In structure 1, centrosymmetric dimers of H2ba and Tu molecules are formed by two N–H⋯O and N–H⋯S hydrogen bonds, respectively. These dimers alternate in one-dimensional tapes. In compound 2, the same molecules are not bound by hydrogen bonds. Here, infinite chains are formed consisting of alternating molecules of H2tba and Tu. In these chains, each of the molecules is connected to the other by two N–H⋯S hydrogen bonds. The compounds have been characterized by powder XRD, TG-DSC, and FT-IR. © 2018 Elsevier B.V.
Журнал: Journal of Molecular Structure
Выпуск журнала: Vol. 1176
Номера страниц: 865-870