Synthesis and structure of <i>trans</i>-2,5-dimethylpiperazine-1,4-diium dihydrogen diphosphate

In the title salt, C<sub>6</sub>H<sub>16</sub>N<sub>2</sub> <sup>2+</sup> ·H<sub>2</sub>P<sub>2</sub>O<sub>7</sub> <sup>2-</sup>, 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 di-hydrogen 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.

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Publication Details

Journal
Acta Crystallographica Section E Crystallographic Communications
Published
2024-10-24
DOI
https://doi.org/10.1107/s2056989024010132
Primary Topic
Crystal structures of chemical compounds
Type
article
Field-Weighted Citation Impact
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article

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

Benoı̂t Baptiste, Adel Elboulali, Samah Akriche, Houda Mrad
Acta Crystallographica Section E Crystallographic Communications
Crystal structures of chemical compounds
article

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

Benoı̂t Baptiste, Adel Elboulali, Samah Akriche, Houda Mrad
article en

Abstract

In the title salt, C<sub>6</sub>H<sub>16</sub>N<sub>2</sub> <sup>2+</sup> ·H<sub>2</sub>P<sub>2</sub>O<sub>7</sub> <sup>2-</sup>, 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 di-hydrogen 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.

Acta Crystallographica Section E Crystallographic CommunicationsVol. 80(11)
Centre National de la Recherche Scientifique (FR), University of Carthage (TN), Institut de minéralogie, de physique des matériaux et de cosmochimie (FR)
Sorbonne Université
Openalex Percentile: Top 85%
Crystal structures of chemical compounds
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