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Syntheses and crystal structures of 2-(p-tolyl)-1H-perimidine hemihydrate and 1-methyl-2-(p-tolyl)-1H-perimidineстатья
Информация о цитировании статьи получена из
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Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 25 мая 2022 г.
- Авторы: Kalle Paulina, Tatarin Sergei V., Kiseleva Marina A., Zakharov Alexander Yu, Smirnov Daniil E., Bezzubov Stanislav I.
- Журнал: Acta Crystallographica Section E Crystallographic Communications
- Том: 78
- Номер: 2
- Год издания: 2022
- Издательство: International Union of Crystallography
- Местоположение издательства: United Kingdom
- Первая страница: 169
- Последняя страница: 172
- DOI: 10.1107/s2056989022000287
- Аннотация: The title compounds, 2-(4-methylphenyl)-1H-perimidine hemihydrate (1, C18H14N2·0.5H2O) and 1-methyl-2-(4-methylphenyl)-1H-perimidine (2, C19H16N2), were prepared and characterized by 1H NMR and single-crystal X-ray diffraction. The organic molecule of the hemihydrate lies on a twofold rotation axis while the water molecule lies on the intersection of three twofold rotation axes (point group symmetry 222). As a consequence, the hydrogen atoms that are part of the N - H group and the water molecule as well as the CH3 group of the p-tolyl ring are disordered over two positions. In compound 1, the perimidine and the 2-aryl rings are slightly twisted while its N-methylated derivative 2 has a more distorted conformation because of the steric repulsion between the N-methyl group and the 2-aryl ring. In the crystal structures, molecules of perimidine 2 are held together only by C - H⋯π contacts while the parent perimidine 1 does not exhibit this type of interaction. Its crystal packing is established by intermolecular N - H⋯O hydrogen bonds with the solvent water molecules and additionally stabilized by π-π stacking
- Добавил в систему: Беззубов Станислав Игоревич