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Synthesis and crystal structure of 4-fluoro-benzyl-ammonium di-hydrogen phosphate, [FC₆H₄CH₂NH₃]H₂PO₄.

ABSTRACT: The asymmetric unit of the title salt, [p-FC₆H₄CH₂NH₃]⁺·H₂PO₄^-, contains one 4-fluoro-benzyl-ammonium cation and one di-hydrogen phosphate anion. In the crystal, the H₂PO₄^- anions are linked by O-H?O hydrogen bonds to build corrugated layers extending parallel to the ab plane. The FC₆H₄CH₂NH₃⁺ cations lie between these anionic layers to maximize the electrostatic inter-actions and are linked to the H₂PO₄^- anions through N-H?O hydrogen bonds, forming a three-dimensional supra-molecular network. Two hydrogen atoms belonging to the di-hydrogen phosphate anion are statistically occupied due to disorder along the OH?HO direction.

SUBMITTER: Rayes A

PROVIDER: S-EPMC5137615 | biostudies-literature | 2016 Dec

REPOSITORIES: biostudies-literature

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Synthesis and crystal structure of 4-fluoro-benzyl-ammonium di-hydrogen phosphate, [FC6H4CH2NH3]H2PO4.

Rayes Ali A Dadi Ahlem A Mahbouli Rhouma Najla N Mezzadri Francesco F Calestani Gianluca G

Acta crystallographica. Section E, Crystallographic communications 20161115 Pt 12

The asymmetric unit of the title salt, [p-FC6H4CH2NH3]+·H2PO4-, contains one 4-fluoro-benzyl-ammonium cation and one di-hydrogen phosphate anion. In the crystal, the H2PO4- anions are linked by O-H⋯O hydrogen bonds to build corrugated layers extending parallel to the ab plane. The FC6H4CH2NH3+ cations lie bet ...[more]

PMID: 27980837

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