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A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels–Alder reaction

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Abstract

A single-crystal-to-single-crystal solid-state reaction involving the 2 : 1 charge-transfer complex of 9-bromoanthracene and bis(N-cyclobutylimino)-1,4-dithiin leads to a synthetic co-crystal composed of the Diels–Alder cycloadduct and unreacted 9-bromoanthracene molecules. Analysis of close contacts in the product crystal and DFT energy calculations indicate an ordered arrangement of product and unreacted molecules due to cooperative effects during the reaction.

Graphical abstract: A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels–Alder reaction

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Publication details

The article was received on 19 Sep 2016, accepted on 09 Apr 2017 and first published on 12 Apr 2017


Article type: Communication
DOI: 10.1039/C6CC07628A
Citation: Chem. Commun., 2017, Advance Article
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    A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels–Alder reaction

    S. Khorasani and M. A. Fernandes, Chem. Commun., 2017, Advance Article , DOI: 10.1039/C6CC07628A

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