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Completing the Picture of Tolazamide Polymorphism under Extreme Conditions: A Low-Temperature Study Научная публикация

Журнал Acta Crystallographica Section C
, E-ISSN: 2053-2296
Вых. Данные Год: 2019, Том: 75, Номер: 5, Страницы: 598-608 Страниц : 11 DOI: 10.1107/s2053229619005217
Ключевые слова low temperature; cooling; inter­molecular inter­actions; hydrogen bond; stacking; disorder; DFT calculations; crystal structure; polymorph
Авторы Fedorov Alexey Yu. 1,2 , Rychkov Denis A. 1,2 , Losev Evgeniy A. 1,3 , Drebushchak Tatiana N. 1,2 , 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

Информация о финансировании (3)

1 Российский научный фонд 18-73-00154 (АААА-А18-118081390008-3)
2 Федеральное агентство научных организаций России 0301-2016-0014 (АААА-А17-117030310274-5)
3 Министерство науки и высшего образования Российской Федерации (с 15 мая 2018) 0239-2019-0003

Реферат: We present the results of an experimental and computational study of structural changes in two polymorphs of tolaza­mide {systematic name: 1-[(azepan-1-yl­amino)­carbon­yl]-4-methyl­benzene­sulfonamide}, C14H21N3O3S, on cooling to 100 K and reverse heating. No phase transitions occurred in this temperature range. The anisotropy of the thermal expansion was different for the two polymorphs and differed from that reported previously for the hydro­static compression. The changes in different inter­molecular contacts responsible for the strain anisotropy were analysed. Relative shortening of the contacts was related directly to their initial length and reversely to the steric density around them. Increasing steric density is likely to be the driving force for the con­formational ordering of the azepane ring under compression.
Библиографическая ссылка: Fedorov A.Y. , Rychkov D.A. , Losev E.A. , Drebushchak T.N. , Boldyreva E.V.
Completing the Picture of Tolazamide Polymorphism under Extreme Conditions: A Low-Temperature Study
Acta Crystallographica Section C. 2019. V.75. N5. P.598-608. DOI: 10.1107/s2053229619005217 WOS Scopus РИНЦ CAPlus OpenAlex
Даты:
Поступила в редакцию: 6 апр. 2019 г.
Принята к публикации: 16 апр. 2019 г.
Опубликована online: 29 апр. 2019 г.
Опубликована в печати: 1 мая 2019 г.
Идентификаторы БД:
Web of science: WOS:000470768200017
Scopus: 2-s2.0-85065494300
РИНЦ: 38705042
Chemical Abstracts: 2019:893628
OpenAlex: W2943665691
Цитирование в БД:
БД Цитирований
Scopus 4
Web of science 4
РИНЦ 4
OpenAlex 4
Альметрики: