2011Crystal Growth & DesignRequires access

Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes

Suman Bhattacharya, Binoy K. Saha

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Abstract

Crystal structures of the guest free forms and some solvates of 1,3,5-triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes (1X, X = I, Br, Cl, F) have been studied. The guest free forms of 1I, 1Br, and 1Cl are isostructural, but the crystal structure of 1F is different from the heavier halogen analogues. An entirely different crystal structure of the Me analogue, which is known to be isosteric to the corresponding bromo compound, shows the importance of the electronic factors of the halogens in this series of structures. 1I and 1Br form four types of architectures in their solvates depending upon the inter-halogen interaction geometries. All these solvates are two dimensionally isostructural to the guest free form. 1Cl forms three different types of frameworks in its solvates, and the ethylacetate solvates of the 1I, 1Br, and 1Cl are isostructural. 1F forms only one type of solvate which is isostructural to the corresponding 1Cl solvate.

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Crystal structures of the guest free forms and some solvates of 1,3,5-triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes (1X, X = I, Br, Cl, F) have been studied. The guest free forms of 1I, 1Br, and 1Cl are isostructural, but the crystal structure of 1F is different from the heavier halogen analogues. An entirely different crystal structure of the Me analogue, which is known to be isosteric to the corresponding bromo compound, shows the importance of the electronic factors of the halogens in this series of structures. 1I and 1Br form four types of architectures in their solvates depending upon the inter-halogen interaction geometries. All these solvates are two dimensionally isostructural to the guest free form. 1Cl forms three different types of frameworks in its solvates, and the ethylacetate solvates of the 1I, 1Br, and 1Cl are isostructural. 1F forms only one type of solvate which is isostructural to the corresponding 1Cl solvate.

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Available abstract

Crystal structures of the guest free forms and some solvates of 1,3,5-triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes (1X, X = I, Br, Cl, F) have been studied. The guest free forms of 1I, 1Br, and 1Cl are isostructural, but the crystal structure of 1F is different from the heavier halogen analogues. An entirely different crystal structure of the Me analogue, which is known to be isosteric to the corresponding bromo compound, shows the importance of the electronic factors of the halogens in this series of structures. 1I and 1Br form four types of architectures in their solvates depending upon the inter-halogen interaction geometries. All these solvates are two dimensionally isostructural to the guest free form. 1Cl forms three different types of frameworks in its solvates, and the ethylacetate solvates of the 1I, 1Br, and 1Cl are isostructural. 1F forms only one type of solvate which is isostructural to the corresponding 1Cl solvate.

Key concepts: Isostructural, Chemistry, Halogen, Crystal structure, Crystallography, Stereochemistry, Supramolecular chemistry, Crystal (programming language)

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