Supramolecular architecture of crystals of 2-amino-1,1,4,5,6,7-hexafluoroindene-3-carbonitrile and its complex and polymorphic modifications of the complex of 2-amino-1,1,4,5,6,7-hexafluoro-3-trifluoroacetylindene with dioxane Full article
| Journal |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
||
|---|---|---|---|
| Output data | Year: 2014, Volume: 55, Number: 8, Pages: 1496-1505 Pages count : 10 DOI: 10.1134/S0022476614080174 | ||
| Tags | polyfluorinated enaminonitriles; enaminoketones; indan; indene; complexes; structure; X-ray diffraction analysis; polymorphic modifications; supramolecular synthon; quantum-chemical calculations | ||
| Authors |
|
||
| Affiliations |
|
Abstract:
The molecular and crystal structure of 2-amino-1,1,4,5,6,7- hexafluoroindene-3-carbonitrile, its complex, and two polymorphic modifications of the complex of 2-amino-1,1,4,5,6,7-hexafluoro-3-trifluoroacetylindene with 1,4-dioxane were determined with X-ray diffraction analysis. The supramolecular architecture of the crystals was analyzed based on the interaction energies of molecular pairs calculated by the DFT (M06-2X/TZV) method using experimental crystal atomic coordinates.
Cite:
Rybalova T.V.
, Gatilov V.Y.
, Karpov V.M.
Supramolecular architecture of crystals of 2-amino-1,1,4,5,6,7-hexafluoroindene-3-carbonitrile and its complex and polymorphic modifications of the complex of 2-amino-1,1,4,5,6,7-hexafluoro-3-trifluoroacetylindene with dioxane
Journal of Structural Chemistry. 2014. V.55. N8. P.1496-1505. DOI: 10.1134/S0022476614080174 WOS Scopus РИНЦ OpenAlex
Supramolecular architecture of crystals of 2-amino-1,1,4,5,6,7-hexafluoroindene-3-carbonitrile and its complex and polymorphic modifications of the complex of 2-amino-1,1,4,5,6,7-hexafluoro-3-trifluoroacetylindene with dioxane
Journal of Structural Chemistry. 2014. V.55. N8. P.1496-1505. DOI: 10.1134/S0022476614080174 WOS Scopus РИНЦ OpenAlex
Original:
Рыбалова Т.В.
, Гатилов Ю.В.
, Карпов В.М.
Супрамолекулярная архитектура кристаллов 2-амино-1,1,4,5,6,7-гексафторинден-3-карбонитрила, его комплекса и полиморфных модификаций комплекса 2-амино-1,1,4,5,6,7-гексафтор-3-трифторацетилиндена с диоксаном
Журнал структурной химии (J STRUCT CHEM+). 2014. Т.55. №S2. С.320-328. РИНЦ
Супрамолекулярная архитектура кристаллов 2-амино-1,1,4,5,6,7-гексафторинден-3-карбонитрила, его комплекса и полиморфных модификаций комплекса 2-амино-1,1,4,5,6,7-гексафтор-3-трифторацетилиндена с диоксаном
Журнал структурной химии (J STRUCT CHEM+). 2014. Т.55. №S2. С.320-328. РИНЦ
Dates:
| Published print: | Dec 1, 2014 |
| Published online: | Jan 28, 2015 |
Identifiers:
| Web of science: | WOS:000348920200010 |
| Scopus: | 2-s2.0-84921762908 |
| Elibrary: | 24030488 |
| OpenAlex: | W2012749170 |