Density Estimation Method for Individual Compounds from X-Ray Diffraction Analysis of their Solvated Forms Научная публикация
| Журнал |
Chemistry of Heterocyclic Compounds
ISSN: 1573-8353 , E-ISSN: 0009-3122 |
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| Вых. Данные | Год: 2022, Том: 58, Номер: 10, Страницы: 539-542 Страниц : 4 DOI: 10.1007/s10593-022-03126-2 | ||
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Реферат:
Growth of the single crystals by solvent evaporation from solutions is frequently accompanied by the inclusion of solvent molecules into the crystal lattice, preventing direct use of the density obtained from X-ray data for estimation of key physicochemical properties. In this work, we propose a method for estimating the density of individual compounds obtained as solvates on the basis of X-ray structural data and the analysis of atomic volumes. This method was verified on a series of nitrogen-containing heterocyclic compounds.
Библиографическая ссылка:
Suponitsky K.Y.
, Shkineva T.K.
, Dalinger I.L.
Density Estimation Method for Individual Compounds from X-Ray Diffraction Analysis of their Solvated Forms
Chemistry of Heterocyclic Compounds. 2022. V.58. N10. P.539-542. DOI: 10.1007/s10593-022-03126-2 WOS Scopus OpenAlex
Density Estimation Method for Individual Compounds from X-Ray Diffraction Analysis of their Solvated Forms
Chemistry of Heterocyclic Compounds. 2022. V.58. N10. P.539-542. DOI: 10.1007/s10593-022-03126-2 WOS Scopus OpenAlex
Идентификаторы БД:
| ≡ Web of science: | WOS:000875806200004 |
| ≡ Scopus: | 2-s2.0-85146403515 |
| ≡ OpenAlex: | W4307819377 |