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Encapsulation Characteristics of Cavitand Type Tetrabromo-Functionalized Resorcin[4]arenes in the Crystal Structure

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Abstract

Single crystal X-ray diffraction analysis of upper rim functionalized tetrabromo-resorcin[4]arenes are presented and their guest encapsulation abilities are discussed. The Br-atoms either attached directly to resorcinarene rim or extended by methylene group (CH2–Br). The substituents on the upper-rim plays an important role in the guest encapsulation characteristic of the resorcinarene cavity. In the crystal structure the host–guest supramolecular systems were stabilized by C–H⋯O, C–H⋯π and C⋯H···Br nonbonding interactions. The Hirshfeld surfaces analysis and the related 2D fingerprint plots provided qualitative and quantitative account of the various supramolecular non-bonding interactions present within the crystal.

Graphic Abstract

Guest encapsulation characteristic of tetrabromo-functionalized resorcin[4]arenes.

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Acknowledgements

The support received from the University of Kuwait, made available through research grant no. SC 09/09, and the facilities of RSPU (Grant Nos. GS 03/08, GS 01/01 and GS 01/03) are gratefully acknowledged.

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Authors and Affiliations

  1. Chemistry Department, Kuwait University, P.O. Box 5969, 13060, Safat, Kuwait

    Mickey Vinodh & Talal F. Al‑Azemi

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  1. Mickey Vinodh
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  2. Talal F. Al‑Azemi
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Correspondence to Talal F. Al‑Azemi.

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10870_2021_889_MOESM1_ESM.docx

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Single crystal data for compounds RCBr4 (CCDC XXXX), and RCCH2Br4 (CCDC XXX) have been deposited in the Cambridge Crystallographic Data Center. Supplementary data associated with this article can be found, in the online version at http://www.ccdc.cam.ac.uk/conts/retrieving.html

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Vinodh, M., Al‑Azemi, T.F. Encapsulation Characteristics of Cavitand Type Tetrabromo-Functionalized Resorcin[4]arenes in the Crystal Structure. J Chem Crystallogr 52, 43–52 (2022). https://doi.org/10.1007/s10870-021-00889-y

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  • DOI: https://doi.org/10.1007/s10870-021-00889-y

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