DL-Alaninium Semi-Oxalate Monohydrate Научная публикация
Журнал |
Acta Crystallographica Section C
, E-ISSN: 2053-2296 |
||||
---|---|---|---|---|---|
Вых. Данные | Год: 2011, Том: 67, Номер: 2, Страницы: o47-o51 Страниц : 5 DOI: 10.1107/S0108270110053655 | ||||
Ключевые слова | Alanine, Crystallography, X-Ray, Hydrogen Bonding, Ions, Molecular Structure, Oxalates, Stereoisomerism, Water | ||||
Авторы |
|
||||
Организации |
|
Информация о финансировании (2)
1 | Civilian Research and Development Foundation | RUX0-008-NO-06 |
2 | Российский фонд фундаментальных исследований | 09-03-00451 |
Реферат:
The structure of the title compound, C3H8NO 2 +·C2HO4 -·H2O, is formed by two chiral counterparts (l- and d-alaninium cations), semi-oxalate anions and water mol-ecules, with a 1:1:1 cation-anion-water ratio. The structure is compared with that of the previously known anhydrous dl-alaninium semi-oxalate [Subha Nandhini, Krishnakumar & Natarajan (2001). Acta Cryst. E57, o666-o668] in order to investigate the role of water mol-ecules in the crystal packing. The structure of the hydrate resembles that of anhydrous alaninium semi-oxalate, with the water mol-ecule incorporated into the general three-dimensional network of hydrogen bonds where it forms four hydrogen bonds with neighbours disposed tetrahedrally about it. Although the main structural motifs in the hydrate and in the anhydrous form are topologically similar, the incorporation of water mol-ecules in the network results in significant geometric distortion. There are several types of hydrogen bond in the crystal structure of the hydrate, two of which (O-H⋯O bonds between the semi-oxalate anions and O-H⋯O hydrogen bonds between water and alaninium cations) are very short. Such hydrogen bonds between semi-oxalate anions are also present in the anhydrous form of this compound. Short distances between semi-oxalate anions in neighbouring chains in the hydrate alternate with longer ones, whereas in the anhydrous structure they are equidistant. Despite the similarity of these compounds, dehydration of the hydrate on storage is not of a single-crystal to single-crystal type, but gives a polycrystalline pseudomorph, preserving the crystal habit. This transformation proceeds through the formation of an inter-mediate compound, presumably a hemihydrate. © 2011 International Union of Crystallography.
Библиографическая ссылка:
Zakharov B.A.
, Boldyreva E.V.
DL-Alaninium Semi-Oxalate Monohydrate
Acta Crystallographica Section C. 2011. V.67. N2. P.o47-o51. DOI: 10.1107/S0108270110053655 WOS Scopus РИНЦ
DL-Alaninium Semi-Oxalate Monohydrate
Acta Crystallographica Section C. 2011. V.67. N2. P.o47-o51. DOI: 10.1107/S0108270110053655 WOS Scopus РИНЦ
Даты:
Поступила в редакцию: | 13 нояб. 2010 г. |
Принята к публикации: | 12 дек. 2010 г. |
Опубликована online: | 7 янв. 2011 г. |
Опубликована в печати: | 15 февр. 2011 г. |
Идентификаторы БД:
Web of science | WOS:000286834900007 |
Scopus | 2-s2.0-79551693380 |
РИНЦ | 16644446 |
Chemical Abstracts | 2011:130938 |
Chemical Abstracts (print) | 154:422950 |
OpenAlex | W1981988377 |