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Supramolecular Aggregation in the 1:1 Co-crystal Formed Between Merocyanine Dye and 3-Nitrophenol, Characterized as a Hydrate

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Abstract

The title organic salt comprises a (E)-4-[2-(4-hydroxyphenyl)vinyl]-1-methylpyridinium cation, a 3-nitro-phenoxide anion and a solvent water molecule of crystallisation. The anions and water molecules aggregate to form supramolecular chains facilitated by charge-assisted O–H···O hydrogen bonds and these form layers which are interspersed by layers of cations. Interactions between layers include O–H···O hydrogen bonding, as well as C–H···O and C–H···π contacts; π···π and C–H···O contacts are found within layers of cations. The compound crystallizes in the monoclinic space group P21/n with a = 15.018(7) Å, b = 7.328(2) Å, c = 17.571(7) Å, β = 112.342(15)°, and Z = 4.

Index Abstract

A layer structure comprising alternating anions/water molecules and cations associated via charge-assisted O–H···O hydrogen bonding as well as C–H···O, C–H···π and π···π contacts is found in (II)

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Acknowledgments

The MBRS RISE program (GM 60655) is thanked for the support of C.A.E. We also thank CNPq and FAPESP (Brazil) and UTSA for support to allow J.Z.-S. to spend a sabbatical at UTSA.

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Authors and Affiliations

  1. Department of Chemistry, The University of Texas at San Antonio, One UTSA Circle, San Antonio, TX, 78249-0698, USA

    Carol A. Ellis & Edward R. T. Tiekink

  2. Department of Chemistry, Universidade Federal de São Carlos, 13565-905, São Carlos, SP, Brazil

    Julio Zukerman-Schpector

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  1. Carol A. Ellis
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  2. Edward R. T. Tiekink
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  3. Julio Zukerman-Schpector
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Correspondence to Edward R. T. Tiekink.

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Ellis, C.A., Tiekink, E.R.T. & Zukerman-Schpector, J. Supramolecular Aggregation in the 1:1 Co-crystal Formed Between Merocyanine Dye and 3-Nitrophenol, Characterized as a Hydrate. J Chem Crystallogr 38, 513–517 (2008). https://doi.org/10.1007/s10870-008-9331-0

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