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trans-2,5-Di­methyl­piperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis

Abstract : The asymmetric unit of the title hydrated mol­ecular salt, C6H16N22+·2ClO4-·2H2O, contains a half dication (completed by inversion symmetry), a perchlorate anion and a water mol­ecule. The extended structure consists of infinite chains of formula [(ClO4)H2O]nn- ions extending along the b axis linked by Ow-H...O (w = water) hydrogen bonds. These chains are cross-linked by the dications via N-H...Ow and weak C-H...O hydrogen bonds, thus forming a three-dimensional supra­molecular network. Three-dimensional Hirshfeld surface analysis and two-dimensional fingerprint maps reveal that the structure is dominated by H...O/O...H and H...H contacts
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https://hal-univ-rennes1.archives-ouvertes.fr/hal-01319872
Contributor : Laurent Jonchère <>
Submitted on : Monday, May 23, 2016 - 10:33:46 AM
Last modification on : Friday, July 10, 2020 - 4:07:26 PM

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Cherifa Ben Mleh, Thierry Roisnel, Houda Marouani. trans-2,5-Di­methyl­piperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis. Acta crystallographica. Section E, Crystallographic communications, International Union of Crystallography, 2016, 72 (4), pp.593--596. ⟨10.1107/S205698901600520X⟩. ⟨hal-01319872⟩

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