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Crystal and molecular structure of 1-amino-1-methylethylphosphonic acid monohydrate

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Abstract

The crystal and molecular structure of 1-amino-1-methylethylphosphonic acid monohydrate (C3H10NO3P·H2O) has been determined by single-crystal X-ray diffraction methods. The crystals are orthorhombic:Pna21,a=11.665(2),b=9.415(1),c=6.386(1) Å,Z=4. The structure was solved by the heavy-atom method and refined to a finalR=0.028. The molecule exists as a zwitterion, H +3 N-C-(CH3)2-PO34H−. There are six independent hydrogen bonds in the structure, three of the type N-H⋯O with lengths 2.904(5), 2.745(6), and 2.765(5) Å and three of the type O-H⋯O with lengths 2.754(4), 2.833 (7), and 2.548(5) Å.

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Authors and Affiliations

  1. Institute of Chemistry, University of Wrocław, F. Joliot-Curie 14, 50-383, Wrocław, Poland

    T. Głowiak & W. Sawka-Dobrowolska

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  1. T. Głowiak
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  2. W. Sawka-Dobrowolska
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Głowiak, T., Sawka-Dobrowolska, W. Crystal and molecular structure of 1-amino-1-methylethylphosphonic acid monohydrate. Journal of Crystallographic and Spectroscopic Research 15, 173–180 (1985). https://doi.org/10.1007/BF01181804

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  • DOI: https://doi.org/10.1007/BF01181804

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