1-Methylpiperazine-1,4-diium dipicrate

Dutkiewicz, G. and Samshuddin, S. and Narayana, B. and Yathirajan, H. S. and Kubicki, M. (2011) 1-Methylpiperazine-1,4-diium dipicrate. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 67 (2). O390-U857. ISSN 1600-5368

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Official URL: doi:10.1107/S1600536811001024


In the crystal structure of the title compound systematic name: 1-methylpiperazine-1,4-diium bis(2,4,6-trinitrophenolate)], C5H14N22+center dot 2C(6)H(2)N(3)O(7)(-), the ionic components are connected by relatively strong N-H center dot center dot center dot O hydrogen bonds into centrosymmetric six-membered conglomerates, which comprise two dications and four anions. Besides Coulombic interactions, only weak C-H center dot center dot center dot O interactions and some stacking between picrates (separation between the planes of ca. 3.4 angstrom 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)degrees] than for the groups in the ortho positions 28.76 (13)-39.84 (11)degrees].

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: Users 23 not found.
Date Deposited: 18 Jun 2019 12:17
Last Modified: 18 Jun 2019 12:17
URI: http://eprints.uni-mysore.ac.in/id/eprint/2573

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