CRYSTAL AND MOLECULAR STRUCTURE OF 1-AMINO-BENZYLPHOSPHONOUS ACID MONOHYDRATE

Peter Reinemer Institut für Anorganische Chemie and Strukturchemie, Heinrich-Heine-Universität, Düsseldorf, Universitätsstr. 1, W-4000, Dusseldorf 1; Max-Planck-Institut für Biochemie, Abt. Strukturforschung, Am Klopferspitz 18a, W-8033, Martinsried

Gerhard Hägele Institut für Anorganische Chemie and Strukturchemie, Heinrich-Heine-Universität, Düsseldorf, Universitätsstr. 1, W-4000, Dusseldorf 1; Max-Planck-Institut für Biochemie, Abt. Strukturforschung, Am Klopferspitz 18a, W-8033, Martinsried

Dietrich Mootz Institut für Anorganische Chemie and Strukturchemie, Heinrich-Heine-Universität, Düsseldorf, Universitätsstr. 1, W-4000, Dusseldorf 1; Max-Planck-Institut für Biochemie, Abt. Strukturforschung, Am Klopferspitz 18a, W-8033, Martinsried

Roman Tyka Institut für Anorganische Chemie and Strukturchemie, Heinrich-Heine-Universität, Düsseldorf, Universitätsstr. 1, W-4000, Dusseldorf 1; Institute of Organic and Physical Chemistry, Technical University of Wroclaw, Wybrzeze Wyspianskiego 27, PL-50-370, Wroclaw, Poland

Abstract

The crystal and molecular structure of 1-amino-benzylphosphonous acid monohydrate (C₇H₁₀PO₂N · H₂O) has been determined from single crystal MoKα diffractometer data. The crystals are monoclinic: P2₁/n, a = 540.0(4), b = 666.3(3), c = 2485.1(19)pm, β = 90.70(6)°, Z = 4. The structure was solved by direct methods and refined to a final R = 0.0519. The molecule exists as a zwitterion, C₆H₅-CH(NH⁺ ₃)-PO₂H⁻. The crystal structure is stabilized by several hydrogen intermolecular bonds.

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CRYSTAL AND MOLECULAR STRUCTURE OF 1-AMINO-BENZYLPHOSPHONOUS ACID MONOHYDRATE

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CRYSTAL AND MOLECULAR STRUCTURE OF 1-AMINO-BENZYLPHOSPHONOUS ACID MONOHYDRATE

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