Polythreading of 1-D sawtooth into 3-D ths net in the strong hydrogen-bonded supramolecular structure of 2-(1H-tetrazol-5-yl)pyrazine hemihydrate

Jian-Rong Li, Xian-He Bu, Guo-Chen Jia, Stuart Robert Batten

Research output: Contribution to journalArticleResearchpeer-review

10 Citations (Scopus)

Abstract

Crystallization of tetrazole compound, 2-(1H-tetrazol-5-yl)pyrazine (TZP), from water gives rise to the 2:1 hydrate, TZP center dot(TZP center dot H2O), with entangled structure involving two-dimensionally distinct strong hydrogen-bonded motifs of I-D sawtooth chain and 3-D ths net (also called ThSi2, (10,3)-b net). In the former, TZP molecules link each other in an end-to-end mode by N-H center dot center dot center dot N(pyrazine) hydrogen bonds (C(6) synthon), while in the latter, both TZP and water molecules assemble through O-H center dot center dot center dot N(tetrazol), O-H center dot center dot center dot. N(pyrazine) and N-H center dot center dot center dot O hydrogen bonds with each acting as a 3-connected node. There also exist weak hydrogen bonds of the C-H center dot center dot center dot N(tetrazol) between such 1-D chains and the 3-D net, and between adjacent chains, respectively. This result represents a rare example of hydrogen-bonded polythreading organic structure, and further exploits the using of tetrazole compound in hydrogen-bonded crystal engineering. (c) 2006 Elsevier B.V. All rights reserved.
Original languageEnglish
Pages (from-to)142 - 146
Number of pages5
JournalJournal of Molecular Structure
Volume828
Issue number1-3
Publication statusPublished - 2007

Cite this

@article{f409a47aef9c46539a65f5fdd0f1cb6a,
title = "Polythreading of 1-D sawtooth into 3-D ths net in the strong hydrogen-bonded supramolecular structure of 2-(1H-tetrazol-5-yl)pyrazine hemihydrate",
abstract = "Crystallization of tetrazole compound, 2-(1H-tetrazol-5-yl)pyrazine (TZP), from water gives rise to the 2:1 hydrate, TZP center dot(TZP center dot H2O), with entangled structure involving two-dimensionally distinct strong hydrogen-bonded motifs of I-D sawtooth chain and 3-D ths net (also called ThSi2, (10,3)-b net). In the former, TZP molecules link each other in an end-to-end mode by N-H center dot center dot center dot N(pyrazine) hydrogen bonds (C(6) synthon), while in the latter, both TZP and water molecules assemble through O-H center dot center dot center dot N(tetrazol), O-H center dot center dot center dot. N(pyrazine) and N-H center dot center dot center dot O hydrogen bonds with each acting as a 3-connected node. There also exist weak hydrogen bonds of the C-H center dot center dot center dot N(tetrazol) between such 1-D chains and the 3-D net, and between adjacent chains, respectively. This result represents a rare example of hydrogen-bonded polythreading organic structure, and further exploits the using of tetrazole compound in hydrogen-bonded crystal engineering. (c) 2006 Elsevier B.V. All rights reserved.",
author = "Jian-Rong Li and Xian-He Bu and Guo-Chen Jia and Batten, {Stuart Robert}",
year = "2007",
language = "English",
volume = "828",
pages = "142 -- 146",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",
number = "1-3",

}

Polythreading of 1-D sawtooth into 3-D ths net in the strong hydrogen-bonded supramolecular structure of 2-(1H-tetrazol-5-yl)pyrazine hemihydrate. / Li, Jian-Rong; Bu, Xian-He; Jia, Guo-Chen; Batten, Stuart Robert.

In: Journal of Molecular Structure, Vol. 828, No. 1-3, 2007, p. 142 - 146.

Research output: Contribution to journalArticleResearchpeer-review

TY - JOUR

T1 - Polythreading of 1-D sawtooth into 3-D ths net in the strong hydrogen-bonded supramolecular structure of 2-(1H-tetrazol-5-yl)pyrazine hemihydrate

AU - Li, Jian-Rong

AU - Bu, Xian-He

AU - Jia, Guo-Chen

AU - Batten, Stuart Robert

PY - 2007

Y1 - 2007

N2 - Crystallization of tetrazole compound, 2-(1H-tetrazol-5-yl)pyrazine (TZP), from water gives rise to the 2:1 hydrate, TZP center dot(TZP center dot H2O), with entangled structure involving two-dimensionally distinct strong hydrogen-bonded motifs of I-D sawtooth chain and 3-D ths net (also called ThSi2, (10,3)-b net). In the former, TZP molecules link each other in an end-to-end mode by N-H center dot center dot center dot N(pyrazine) hydrogen bonds (C(6) synthon), while in the latter, both TZP and water molecules assemble through O-H center dot center dot center dot N(tetrazol), O-H center dot center dot center dot. N(pyrazine) and N-H center dot center dot center dot O hydrogen bonds with each acting as a 3-connected node. There also exist weak hydrogen bonds of the C-H center dot center dot center dot N(tetrazol) between such 1-D chains and the 3-D net, and between adjacent chains, respectively. This result represents a rare example of hydrogen-bonded polythreading organic structure, and further exploits the using of tetrazole compound in hydrogen-bonded crystal engineering. (c) 2006 Elsevier B.V. All rights reserved.

AB - Crystallization of tetrazole compound, 2-(1H-tetrazol-5-yl)pyrazine (TZP), from water gives rise to the 2:1 hydrate, TZP center dot(TZP center dot H2O), with entangled structure involving two-dimensionally distinct strong hydrogen-bonded motifs of I-D sawtooth chain and 3-D ths net (also called ThSi2, (10,3)-b net). In the former, TZP molecules link each other in an end-to-end mode by N-H center dot center dot center dot N(pyrazine) hydrogen bonds (C(6) synthon), while in the latter, both TZP and water molecules assemble through O-H center dot center dot center dot N(tetrazol), O-H center dot center dot center dot. N(pyrazine) and N-H center dot center dot center dot O hydrogen bonds with each acting as a 3-connected node. There also exist weak hydrogen bonds of the C-H center dot center dot center dot N(tetrazol) between such 1-D chains and the 3-D net, and between adjacent chains, respectively. This result represents a rare example of hydrogen-bonded polythreading organic structure, and further exploits the using of tetrazole compound in hydrogen-bonded crystal engineering. (c) 2006 Elsevier B.V. All rights reserved.

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M3 - Article

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SP - 142

EP - 146

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

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