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.

Keywords

• crystal structure
• piperazine derivative
• molecular salt
• hydrogen bonding
• Hirshfeld surface analysis