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A Novel Crystal form of Metacetamol: The First Example of a Hydrated Form Научная публикация

Журнал Acta Crystallographica Section C
, E-ISSN: 2053-2296
Вых. Данные Год: 2019, Том: 75, Номер: 11, Страницы: 1465-1470 Страниц : 6 DOI: 10.1107/s2053229619012981
Ключевые слова hydrate; metacetamol; API; crystallization; crystal structure; crystal packing; motif; hydrogen bond; disorder
Авторы Zemtsova Viktoria M. 1,2 , Fedorov Alexey Yu. 1,2 , Fedorova Elizaveta A. 3 , Boa Callum 4 , Arkhipov Sergey G. 1,3 , Rychkov Denis A. 1,2 , Minkov Vasily S. 5 , Pulham Colin R. 4 , Boldyreva Elena V. 1,3
Организации
1 Novosibirsk State University, Pirogova str. 2, Novosibirsk 630090, Russian Federation
2 Institute of Solid State Chemistry and Mechanochemistry SB RAS, Kutateladze str. 18, Novosibirsk 630128, Russian Federation
3 Boreskov Institute of Catalysis SB RAS, Lavrentiev Ave. 5, Novosibirsk 630090, Russian Federation
4 The University of Edinburgh, School of Chemistry, Joseph Black Building, David Brewster Road, Edinburgh EH9 3FJ, Scotland
5 Max-Planck Institute for Chemistry, Hahn-Meitner-Weg 1, Mainz 55128, Germany

Информация о финансировании (3)

1 Федеральное агентство научных организаций России 0301-2016-0014 (АААА-А17-117030310274-5)
2 Министерство науки и высшего образования Российской Федерации (с 15 мая 2018) 0239-2019-0003
3 The University of Edinburgh

Реферат: We report the crystal structure and crystallization conditions of a first hydrated form of metacetamol (a hemihydrate), C8H9NO2·0.5H2O. 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 R22(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
Библиографическая ссылка: Zemtsova V.M. , Fedorov A.Y. , Fedorova E.A. , Boa C. , Arkhipov S.G. , Rychkov D.A. , Minkov V.S. , Pulham C.R. , Boldyreva E.V.
A Novel Crystal form of Metacetamol: The First Example of a Hydrated Form
Acta Crystallographica Section C. 2019. V.75. N11. P.1465-1470. DOI: 10.1107/s2053229619012981 WOS Scopus РИНЦ CAPlus PMID OpenAlex
Даты:
Поступила в редакцию: 23 июл. 2019 г.
Принята к публикации: 19 сент. 2019 г.
Опубликована online: 4 окт. 2019 г.
Опубликована в печати: 1 нояб. 2019 г.
Идентификаторы БД:
Web of science: WOS:000495393600004
Scopus: 2-s2.0-85074548259
РИНЦ: 41700108
Chemical Abstracts: 2019:2093607
PMID (PubMed): 31686655
OpenAlex: W2977518381
Цитирование в БД:
БД Цитирований
Scopus 4
Web of science 4
РИНЦ 3
OpenAlex 4
Альметрики: