JOURNAL ARTICLE

Synthesis and structure of trans-2,5-dimethylpiperazine-1,4-diium dihydrogen diphosphate

Houda MradAdel ElboulaliBenoı̂t BaptisteSamah Akriche

Year: 2024 Journal:   Acta Crystallographica Section E Crystallographic Communications Vol: 80 (11)Pages: 1202-1205   Publisher: International Union of Crystallography

Abstract

In the title salt, C 6 H 16 N 2 2+ ·H 2 P 2 O 7 2− , the complete dication is generated by a crystallographic centre of symmetry with the methyl groups in equatorial orientations. The complete dianion is generated by a crystallographic twofold axis with the central O atom lying on the axis: the P—O—P bond angle is 135.50 (12)°. In the crystal, the dihydrogen diphosphate anions are linked by O—H...O hydrogen bonds, generating (001) layers. The organic cations bond to the inorganic layers by way of N—H...O and C—H...O hydrogen bonds. A Hirshfeld surface analysis shows that the most important contributions for the crystal packing are from O...H/H...O (60.5%) and H...H (39.4%) contacts.

Keywords:
Dication Chemistry Crystallography Hydrogen bond Crystal (programming language) Crystal structure Atom (system on chip) Salt (chemistry) Stereochemistry Molecule

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Topics

Crystal structures of chemical compounds
Physical Sciences →  Chemistry →  Inorganic Chemistry
Crystallography and molecular interactions
Physical Sciences →  Chemistry →  Physical and Theoretical Chemistry
Molecular Sensors and Ion Detection
Physical Sciences →  Chemistry →  Spectroscopy

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