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Полная запись метаданных
Поле DC | Значение | Язык |
---|---|---|
dc.contributor.author | Shyshkina, M. O. | - |
dc.contributor.author | Lega, D. A. | - |
dc.contributor.author | Goryachiy, V. D. | - |
dc.contributor.author | Shemchuk, L. M. | - |
dc.contributor.author | Levashov, D. V. | - |
dc.contributor.author | Shemchuk, L. A. | - |
dc.contributor.author | Шишкіна, М. О. | - |
dc.contributor.author | Лега, Д. А. | - |
dc.contributor.author | Горячий, В. Д. | - |
dc.contributor.author | Шемчук, Л. М. | - |
dc.contributor.author | Левашов, Д. В. | - |
dc.contributor.author | Шемчук, Л. А. | - |
dc.date.accessioned | 2021-12-10T10:10:55Z | - |
dc.date.available | 2021-12-10T10:10:55Z | - |
dc.date.issued | 2021 | - |
dc.identifier.citation | 2-Amino-4-(4-chloro-1-ethyl-2,2-dioxo-1H-benzo[c][1,2]thiazin-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile: single-crystal X-ray diffraction study and Hirshfeld surface analysis / M. O. Shyshkina, D. A. Lega, V. D. Goryachiy, L. M. Shemchuk, D. V. Levashov, L. A. Shemchuk // Acta Cryst. - 2021. - E77. - P. 294-297. https://doi.org/10.1107/S2056989021002085. | uk_UA |
dc.identifier.uri | http://dspace.nuph.edu.ua/handle/123456789/26719 | - |
dc.description.abstract | In the title compound, C22H22ClN3O4S, which has potential non-steroidal antiinflammatory activity, the benzothiazine and cyclohexenone rings both adopt a distorted sofa conformation while the 4H-pyrane ring adopts a very flattened sofa conformation. The two bicyclic fragments are skewed to each other, with the dihedral angle between their least-squares planes being 72.8 (1). In the crystal, the molecules form a hydrogen-bonded chain parallel to the a axis due to N—HO and N—HCl hydrogen bonds. Neighbouring chains are linked by C—HN, C—HO and – stacking interactions. Hirshfeld surface analysis was used to investigate the importance of the different types of intermolecular interactions whose contributions are: HH = 44.7%, OH/HO = 21.8%, NH/HN = 11.9%, CH/HC = 9.5%, ClH/HCl = 7.2%. Parts of the molecule, viz. the phenyl ring and the ethyl side chain, are equally disordered over two sets of sites. | uk_UA |
dc.language.iso | en | uk_UA |
dc.subject | 1H-benzo[c][1,2]thiazine | uk_UA |
dc.subject | 2,2- dioxide | uk_UA |
dc.subject | 4H-pyran | uk_UA |
dc.subject | multicomponent reaction | uk_UA |
dc.subject | molecular structure | uk_UA |
dc.subject | crystal structure | uk_UA |
dc.subject | Hirshfeld surface analysis | uk_UA |
dc.title | 2-Amino-4-(4-chloro-1-ethyl-2,2-dioxo-1H-benzo[c][1,2]thiazin-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile: single-crystal X-ray diffraction study and Hirshfeld surface analysis | uk_UA |
dc.type | Article | uk_UA |
Располагается в коллекциях: | Наукові публікації кафедри фармацевтичної хімії |
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2-Amino-4-(4-chloro-1-ethyl-2,2-dioxo-1H-benzo[c][1,2]thiazin-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile.pdf | 797,43 kB | Adobe PDF | Просмотреть/Открыть |
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