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S=O...S=O Interactions as a Driving Force for Low-Temperature Conformational Rearrangement of Stable H-Bonding {S(O)-Ch2-Ch2-OH···}2 Synthon in two Modifications of Diastereomeric Pinanyl Sulfoxides Co-Crystal

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dc.contributor.author Lodochnikova O.
dc.contributor.author Krivolapov D.
dc.contributor.author Startseva V.
dc.contributor.author Nikitina L.
dc.contributor.author Bodrov A.
dc.contributor.author Artemova N.
dc.contributor.author Klochkov V.
dc.contributor.author Madzhidov T.
dc.contributor.author Chmutova G.
dc.contributor.author Litvinov I.
dc.date.accessioned 2018-09-18T20:13:51Z
dc.date.available 2018-09-18T20:13:51Z
dc.date.issued 2015
dc.identifier.issn 1042-6507
dc.identifier.uri https://dspace.kpfu.ru/xmlui/handle/net/137771
dc.description.abstract Copyright © Taylor & Francis Group, LLC. (Graphical Abstract) For the triclinic and monoclinic modifications of diastereomeric pinanyl sulfoxides co-crystal, remarkable alterations in unit cell parameters by transition from 293 to 150 were ascertained. Such alterations are accompanied by conformational restructuring of a stable hydrogen-bonded synthon from an "unfolded" to a "folded" form. The driving force of this restructuring is the tendency to form S=O.S=O interactions, which show up in the lowerature phases of both polymorphs. These are well-supported by the methods of quantum chemistry (DFT, B97-D/6-31G(d,p), AIM All).
dc.relation.ispartofseries Phosphorus, Sulfur and Silicon and the Related Elements
dc.subject "racemic compound-like" crystallization
dc.subject -β-pinene
dc.subject hydrogen-bonded cyclic dimers
dc.subject lowerature X-ray structural analysis
dc.subject polymorphic modifications
dc.subject β-Hydroxy sulfoxide
dc.title S=O...S=O Interactions as a Driving Force for Low-Temperature Conformational Rearrangement of Stable H-Bonding {S(O)-Ch2-Ch2-OH···}2 Synthon in two Modifications of Diastereomeric Pinanyl Sulfoxides Co-Crystal
dc.type Article
dc.relation.ispartofseries-issue 12
dc.relation.ispartofseries-volume 190
dc.collection Публикации сотрудников КФУ
dc.relation.startpage 2222
dc.source.id SCOPUS10426507-2015-190-12-SID84949921201


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  • Публикации сотрудников КФУ Scopus [24551]
    Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.

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