Synthesis, crystal structure and Hirshfeld surface analysis of phenyl-methanaminium 2-oxo-2H-chromene-3-carboxyl-ate.
Аннотация
The title salt, C7H10N+·C10H4O-, formed between 2-oxo-2H-chromene-3-carb-oxy-lic acid and benzyl-amine crystallizes in the triclinic space group P1. Proton transfer from 2-oxo-2H-chromene-3-carb-oxy-lic acid to the NH2 group of benzyl-amine results in a N-H⋯(O,O) hydrogen bond between cation and the carboxylate group of the anion. The 2-oxo-2H-chromene moiety is almost planar with a dihedral angle between the two fused rings of 1.48 (11)°. The dihedral angle between the rings of the anion and cation is 29.49 (10)°. In the crystal, N-H⋯O hydrogen-bonding inter-actions generate an R 4 4(12) synthon parallel to the ac plane. The mol-ecules are linked by further C-H⋯π inter-actions, which consolidate the packing. In addition, π-π stacking inter-actions are observed with centroid-to-centroid distances of 3.5832 (14) and 3.8167 (15) Å. The two-dimensional fingerprint plots indicates that the most important contributions to the crystal packing are from H⋯H (39.7%), H⋯O/O⋯H (30.6%) and H⋯C/C⋯H (20.9%) contacts. The anti-bacterial activity, with MIC values of 30 µg ml-1 against S. aureus and 25 µg ml-1 against E. coli. The lower MIC against E. coli suggests that the compound is more effective against Gram-negative bacteria than Gram-positive bacteria.
Подготовка и перевод публикации
Обработка статьи · этапы, ошибки и управление
Ошибки и ограничения
История · было → стало
Состояние обновляется каждые 5 секунд, пока блок открыт. Процент показывается только там, где известен объём работы. Пауза останавливает продолжение этапа; текущий запрос к источнику может завершиться.
Тип публикации указан по данным источника. Уровень доказательности автоматически не присваивается.