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Synthesis and structure of 2-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalene)]-5-benzimidazole ethylcarboxylate monohydrate

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Abstract

As part of a program investigating the conformations of potential anticarcinogens and antioxidants, the structure of the title compound C24H28N2O2·H2O is reported. The monohydrate crystallizes in the monoclinic space group P2/c with unit cell parameters a = 16.184(1),b = 7.937(1), c = 16.968(1), β = 92.788(7)°, and Z = 4. The benzimidazole and tetrahydrotetramethylnaphthalene ring systems are inclined to one another by approximately 26°. The water molecule plays an important role in the crystal structure by hydrogen bonding to different functional groups of three organic moieties. Additional crystal stabilization is dueto π–π stacking of benzimidazole rings.

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Authors and Affiliations

  1. Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Tandogan, Ankara University, 06100, Ankara, Turkey

    Zeynep Ates-Alagoz, Sibel Suzen & Erdem Buyukbingol

  2. Department of Chemistry, University of Cape Town, Rondebosch, 7701, South Africa

    Mino R. Caira

Authors
  1. Zeynep Ates-Alagoz
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  2. Sibel Suzen
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  3. Erdem Buyukbingol
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  4. Mino R. Caira
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Ates-Alagoz, Z., Suzen, S., Buyukbingol, E. et al. Synthesis and structure of 2-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalene)]-5-benzimidazole ethylcarboxylate monohydrate. Journal of Chemical Crystallography 30, 103–107 (2000). https://doi.org/10.1023/A:1009565512076

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