A novel crystal form of metacetamol: The first example of a hydrated form

Viktoria M. Zemtsova, Alexey Yu Fedorov, Elizaveta A. Fedorova, Callum Boa, Sergey G. Arkhipov, Denis A. Rychkov, Vasily S. Minkov, Colin R. Pulhamd, Elena V. Boldyreva

Результат исследования: Научные публикации в периодических изданияхстатьярецензирование

1 Цитирования (Scopus)


We report the crystal structure and crystallization conditions of a first hydrated form of metacetamol (a hemihydrate), C8H9ONO2·0.5H2O. It crystallizes from metacetamol-saturated 1:1 (v/v) water-ethanol solutions in a monoclinic structure (space group P21/n) and contains eight metacetamol and four water molecules per unit cell. The conformations of the molecules are the same as in polymorph II of metacetamol, which ensures the formation of hydrogen-bonded dimers and R 2 2(16) ring motifs in its crystal structure similar to those in polymorph II. Unlike in form II, however, these dimers in the hemihydrate are connected through water molecules into infinite hydrogen-bonded molecular chains. Different chains are linked to each other by metacetamol-water and metacetamol-metacetamol hydrogen bonds, the latter type being also present in polymorph I. The overall noncovalent network of the hemihydrate is well developed and several types of hydrogen bonds are responsible for its formation.

Язык оригиналаанглийский
Страницы (с-по)1465-1470
Число страниц6
ЖурналActa Crystallographica Section C: Structural Chemistry
СостояниеОпубликовано - 1 нояб. 2019


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