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The structure of 9-methyladenine salicylate

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Abstract

Crystals of 9-methyladenine salicylate (C6H8N +5 ·C7H5O −3 ), mp 126°C, are orthorhombic, space groupPbcn (D 142h , No. 60) witha=25.305(3),b=8.066(1),c=12.928(2) Å,d c=1.446 g cm−3,d m=1.43 g cm−3 (CCl4/ cyclohexane) forZ=8. The 9-methyladenine, protonated at N(1), and salicylate form a pair of strong hydrogen bonds with N⋯O distances of 2.617 and 2.858 Å. In addition, a hydrogen bond is formed between two adenine moieties using the amino group and imidazole nitrogen, N(7), with N⋯N separation of 3.114 Å. As in salicylic acid, an intermolecular hydrogen bond of 2.560 Å is formed between the hydroxyl and a carboxyl oxygen atoms.

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Authors and Affiliations

  1. Department of Chemistry, California State University, 91330, Northridge, California

    Robert W. Gellert & I-Nan Hsu

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  1. Robert W. Gellert
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  2. I-Nan Hsu
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Gellert, R.W., Hsu, IN. The structure of 9-methyladenine salicylate. Journal of Crystallographic and Spectroscopic Research 13, 99–105 (1983). https://doi.org/10.1007/BF01246579

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  • DOI: https://doi.org/10.1007/BF01246579

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