Crystals at a Carrefour on the Way through the Phase Space: A Middle Path

Multiple supramolecular functionalities of cyclic α-alkoxy tellurium-trihalides (including Te---O, Te---X (X = Br, I) and Te---π(C=C) supramolecular synthons) afford rich crystal packing possibilities, which consequently results in polymorphism or Z’ > 1 crystal structures. Example of three cryst...

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Main Authors: Yury V. Torubaev, Ivan V. Skabitsky
Format: Article
Language:English
Published: MDPI AG 2021-03-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/26/6/1583
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author Yury V. Torubaev
Ivan V. Skabitsky
author_facet Yury V. Torubaev
Ivan V. Skabitsky
author_sort Yury V. Torubaev
collection DOAJ
description Multiple supramolecular functionalities of cyclic α-alkoxy tellurium-trihalides (including Te---O, Te---X (X = Br, I) and Te---π(C=C) supramolecular synthons) afford rich crystal packing possibilities, which consequently results in polymorphism or Z’ > 1 crystal structures. Example of three crystal forms of cyclohexyl-ethoxy-tellurium-trihalides, one of which combines the packing of two others, affords a unique model to observe the <i>supramolecular synthon evolution</i> at the early stages of crystallization, when <i>crystals on the way</i> find themself at a carrefour between the evolutionally close routes, but fail to choose between two energetically close packing patterns, so taking the “middle path”, which incorporates both of them (and results in two crystallographically independent molecules). In general, this allows a better understanding of the existing structures, and an instrument to search for the new polymorphic forms.
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spelling doaj.art-212dec051042477db4ab9e20c77e0a0d2023-11-21T10:20:58ZengMDPI AGMolecules1420-30492021-03-01266158310.3390/molecules26061583Crystals at a Carrefour on the Way through the Phase Space: A Middle PathYury V. Torubaev0Ivan V. Skabitsky1Кurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, 119991 Moscow, RussiaКurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, 119991 Moscow, RussiaMultiple supramolecular functionalities of cyclic α-alkoxy tellurium-trihalides (including Te---O, Te---X (X = Br, I) and Te---π(C=C) supramolecular synthons) afford rich crystal packing possibilities, which consequently results in polymorphism or Z’ > 1 crystal structures. Example of three crystal forms of cyclohexyl-ethoxy-tellurium-trihalides, one of which combines the packing of two others, affords a unique model to observe the <i>supramolecular synthon evolution</i> at the early stages of crystallization, when <i>crystals on the way</i> find themself at a carrefour between the evolutionally close routes, but fail to choose between two energetically close packing patterns, so taking the “middle path”, which incorporates both of them (and results in two crystallographically independent molecules). In general, this allows a better understanding of the existing structures, and an instrument to search for the new polymorphic forms.https://www.mdpi.com/1420-3049/26/6/1583non-covalent interactionschalcogen bondingpolymorphismsupramolecular synthonssynthons evolutionsynthon crossover
spellingShingle Yury V. Torubaev
Ivan V. Skabitsky
Crystals at a Carrefour on the Way through the Phase Space: A Middle Path
Molecules
non-covalent interactions
chalcogen bonding
polymorphism
supramolecular synthons
synthons evolution
synthon crossover
title Crystals at a Carrefour on the Way through the Phase Space: A Middle Path
title_full Crystals at a Carrefour on the Way through the Phase Space: A Middle Path
title_fullStr Crystals at a Carrefour on the Way through the Phase Space: A Middle Path
title_full_unstemmed Crystals at a Carrefour on the Way through the Phase Space: A Middle Path
title_short Crystals at a Carrefour on the Way through the Phase Space: A Middle Path
title_sort crystals at a carrefour on the way through the phase space a middle path
topic non-covalent interactions
chalcogen bonding
polymorphism
supramolecular synthons
synthons evolution
synthon crossover
url https://www.mdpi.com/1420-3049/26/6/1583
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