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Crystal Structures of Two Tetraalkylammonium Salts and One Dihydrate of 4,4′-Dihydroxybenzophenone

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Abstract

Two tetraalkylammonim salts and a dihydrate of 4,4′-dihydroxybenzophenone (DHBP) have been prepared and characterized by X-ray crystallography. In [(CH3)4N](C13H9O3) (1), the DHBP- anions pack to form two-dimensional puckered, hydrogen-bonded layers via O–H···O− hydrogen bonds between the hydroxyl groups. Comparatively, in [(C2H5)4N]2(C13H8O3)·10H2O, the DHBP2− anions act as proton acceptors to link ten water molecules generating two-dimensional planar hydrogen-bonded layers. The tetraalkylammonium cations are located between the hydrogen-bonded layers. Additionally, weak C–H···O hydrogen bonds between the anions and cations are present. The DHBP molecules in 3 ((C13H10O3)·2H2O) are linked to the water molecules forming a three-dimensional hydrogen-bonded network by conventional O–H···O hydrogen bonding. Additionally, theoretical calculations were performed to explore the structural differences among the materials and the results were compared with the corresponding crystal structures.

Graphical Abstract

Two tetraalkylammonim salts and one dihydrate of 4,4′-dihydroxybenzophenone (DHBP) have been prepared and characterized by X-ray crystallography. The hydrogen bonding of the structures is presented.

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Acknowledgments

Support from the Young Teacher’s Processing Program of Northwest Normal University (NWNU-LKQN-13-19) is gratefully acknowledged.

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Authors and Affiliations

  1. Key Laboratory of Polymer Materials of Ministry of Education, College of Chemistry and Chemical Engineering, Northwest Normal University, Lanzhou, 730070, Gansu, China

    Hai-yan Li, Jin-feng Wu & Yun-xia Yang

  2. School of Chemistry and Materials Science, Guizhou Normal University, Guiyang, 550001, Guizhou, China

    Yuan Yang

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  1. Hai-yan Li
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  2. Jin-feng Wu
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  3. Yuan Yang
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  4. Yun-xia Yang
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Correspondence to Yun-xia Yang.

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Li, Hy., Wu, Jf., Yang, Y. et al. Crystal Structures of Two Tetraalkylammonium Salts and One Dihydrate of 4,4′-Dihydroxybenzophenone. J Chem Crystallogr 45, 44–50 (2015). https://doi.org/10.1007/s10870-014-0562-y

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  • DOI: https://doi.org/10.1007/s10870-014-0562-y

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