Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds

Babb, Jennifer E.V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K.

doi:10.1039/b304010k

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Structural Features and Relationships1

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Cited by 3 publications

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“…Even 10 thiourea molecules aggregate with bromide anions in the 2:1 compound(n-C 4 H 9 ) 4 N + Br À Á2(NH 2 ) 2 CS (Fig. 7e) [41]. This compilation underlines the broad variability in possible host lattices as a function of stoichiometry and chemical composition.…”

Section: Structural Features and Relationshipsmentioning

confidence: 94%

(2-Bromoethyl)trimethylammonium bromide and thiourea: A comparative study of three crystal structures

Yuan

Yin

et al. 2009

Journal of Molecular Structure

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Section: Structural Features and Relationshipsmentioning

confidence: 94%

(2-Bromoethyl)trimethylammonium bromide and thiourea: A comparative study of three crystal structures

Yuan

Yin

et al. 2009

Journal of Molecular Structure

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Hydrogen-Bonding Networks in Heterocyclic Thioureas

Saxena

Pike

2007

J Chem Crystallogr

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Experimental and Theoretical Analysis of the Hydrogen-bonding Motifs Formed Between the Carboxyl and the Carboxylate Group: Towards a Systematic Classification of their Supramolecular Motifs

Rodríguez-Cuamatzi

Arillo-Flores

Bernal-Uruchurtu

et al. 2007

Supramolecular Chemistry

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Nine tetraalkylammonium salts, with R 5 Me, Et, n Pr and n Bu, of four different carboxylic acids, namely isophthalic acid, 5-nitroisophthalic acid, trimesic acid and pyromellitic acid (1,2,4,5-benzenetetracarboxylic acid), have been prepared and their supramolecular structures analyzed by X-ray crystallography. The [RCOOH· · ·HOOCR] homodimeric motif characteristic for carboxylic acids has not been detected, but instead, in all compounds a [RCOOH· · ·OOCR] 2 unit was present. The hydrogen-bonding geometries and interaction energies of the different discrete and water-expanded hydrogen-bonding patterns formed between the carboxyl and the carboxylate group have been analyzed systematically by theoretical calculations at the MP2/6-31G(d,p) level of theory.Carboxylates are promising candidates for crystal engineering and [OZH· · ·O] 2 interactions play an important role for the structural organization and chemistry of biomolecules.

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Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds

Cited by 3 publications

References 13 publications

(2-Bromoethyl)trimethylammonium bromide and thiourea: A comparative study of three crystal structures

(2-Bromoethyl)trimethylammonium bromide and thiourea: A comparative study of three crystal structures

Hydrogen-Bonding Networks in Heterocyclic Thioureas

Experimental and Theoretical Analysis of the Hydrogen-bonding Motifs Formed Between the Carboxyl and the Carboxylate Group: Towards a Systematic Classification of their Supramolecular Motifs

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