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X-ray mapping in heterocyclic design: XII. X-ray diffraction study of 2-pyridones containing cycloalkane fragments annelated to the C(5)-C(6) bondстатья
Информация о цитировании статьи получена из
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Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Al'bov D.V., Mazina O.S., Rybakov V.B., Babaev E.V., Chernyshev V.V., Astanov L.A.
- Журнал: Crystallography Reports
- Том: 49
- Номер: 2
- Год издания: 2004
- Издательство: Maik Nauka/Interperiodica Publishing
- Местоположение издательства: Russian Federation
- Первая страница: 158
- Последняя страница: 168
- DOI: 10.1134/1.1690408
- Аннотация: The structures of 4,6-dimethyl-1H-pyridin-2-one [a = 6.125(2) Angstrom, b = 15.153(4) Angstrom, and c = 14.477(4) Angstrom, Z = 8, space group Pbca], the 2 : 1 : 1 complex of 4-methyl-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one with phosphoric acid and methanol [a = 11.181(2) Angstrom, b = 14.059'(6) Angstrom, c = 13.593(4) Angstrom, beta = 97.78(2)degrees, Z = 8, space group P2(1)/n], 4-methyl-1,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-2-one [a = 12.565(6) Angstrom, b = 5.836(6) Angstrom, c = 13.007(3) Angstrom, beta = 93.10(3)degrees, Z = 4, space group P2(1)/n], and 4-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2(1H)-one [a = 12.955(3) Angstrom, b = 6.1595(15) Angstrom, c = 13.038(3) Angstrom, beta = 95.50(2)degrees, Z= 4, space group P2(1)/n] are determined b single-crystal X-ray diffraction. The structures are solved by direct methods and refined by the full-matrix least-squares procedure in the anisotropic approximation to R = 0.0755, 0.0644, 0.0754, and 0.0569, respectively. The structures of 4-methyl- 1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one [a = 7.353(4) Angstrom, h = 8.176(4) Angstrom, c = 13.00(1) Angstrom, beta = 195.64(2)degrees, Z = 4, space group P2(1)/c] and 2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile [a = 5.9870(2) Angstrom, b = 16.5280(5) Angstrom, c = 9.6540(3) Angstrom, beta = 111.52(4)degrees, Z = 4, space group P2(1)/c] are studied by the powder diffraction technique. The structures are solved using the grid search procedure and refined by the Rietveld method to R-wp = 0. 108 and 0.058 R-exp = 0.032 and 0.027, R-p = 0.076 and 0.043, R-b = 0. 123 and 0.077, and chi(2) = 7.9 and 3.64, respectively. In all the structures, hydrogen bonds involving the N, H, and 0 atoms of the pyridone fragment are formed. (C) 2004 MAIK "Nauka/Interperiodica".
- Добавил в систему: Чернышев Владимир Васильевич