1-Methyl­piperazine-1,4-diium dipicrate

Dutkiewicz, Grzegorz and Samshuddin, S. and Narayana, B. and Yathirajan, H. S. and Kubicki, Maciej (2011) 1-Methyl­piperazine-1,4-diium dipicrate. Acta Crystallographica Section E, 67 (2). o390-o391. ISSN 2056-9890

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Official URL: https://doi.org/10.1107/S1600536811001024


In the crystal structure of the title compound [systematic name: 1-methyl­piperazine-1,4-diium bis­(2,4,6-trinitro­phen­ol­ate)], C5H14N22+·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)°].

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: C Swapna Library Assistant
Date Deposited: 30 Oct 2019 09:57
Last Modified: 30 Oct 2019 09:57
URI: http://eprints.uni-mysore.ac.in/id/eprint/9716

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