G. Dutkiewicz, S. Samshuddin, B. Narayana
Jan 15, 2011
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Influential Citations
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Journal
Acta Crystallographica Section E: Structure Reports Online
Abstract
In the crystal structure of the title compound [systematic name: 1-methylpiperazine-1,4-diium bis(2,4,6-trinitrophenolate)], C5H14N2 2+·2C6H2N3O7 −, the ionic components are connected by relatively strong N—H⋯O hydrogen bonds into centrosymmetric six-membered conglomerates, which comprise two dications and four anions. Besides Coulombic interactions, only weak C—H⋯O interactions and some stacking between picrates (separation between the planes of ca. 3.4 Å but only a small overlapping) can be identified between these ‘building blocks’ of the crystal structure. The piperazine ring adopts a chair conformation with the methyl substituent in the equatorial position. In the picrate anions, the twist angles of the nitro groups depend on their positions relative to the phenolate O atom: it is much smaller for the NO2 groups para to the C—O− group [15.23 (9)and 3.92 (14)°] than for the groups in the ortho positions [28.76 (13)–39.84 (11)°].