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Trans-2,5-Di-methyl-piperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis.

ABSTRACT: The asymmetric unit of the title hydrated mol-ecular salt, C6H16N2 (2+)·2ClO4 (-)·2H2O, contains a half dication (completed by inversion symmetry), a perchlorate anion and a water mol-ecule. The extended structure consists of infinite chains of formula [(ClO4)H2O] n (n) (-) 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 supra-molecular 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.

SUBMITTER: Ben Mleh C 

PROVIDER: S-EPMC4910334 | biostudies-literature | 2016 Apr

REPOSITORIES: biostudies-literature

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

Ben Mleh Cherifa C   Roisnel Thierry T   Marouani Houda H  

Acta crystallographica. Section E, Crystallographic communications 20160331 Pt 4

The asymmetric unit of the title hydrated mol-ecular salt, C6H16N2 (2+)·2ClO4 (-)·2H2O, contains a half dication (completed by inversion symmetry), a perchlorate anion and a water mol-ecule. The extended structure consists of infinite chains of formula [(ClO4)H2O] n (n) (-) 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 supra-molecular network. T  ...[more]

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