IN THE CRYSTAL STRUCTURE OF THE TITLE COMPOUND [SYSTEMATIC NAME: 1-methyl-piperazine-1,4-diium bis-(2,4,6-trinitro-phen-ol-ate)], C(5)H(14)N(2) (2+)·2C(6)H(2)N(3)O(7) (-), the ionic components are connected by relatively strong N-Hâ¯O hydrogen bonds into centrosymmetric six-membered conglomerates, which comprise two dications and four anions. Besides Coulombic inter-actions, only weak C-Hâ¯O inter-actions and some stacking between picrates (separation between the planes of ca. 3.4â à 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 NO(2) groups para to the C-O(-) group [15.23â (9)and 3.92â (14)°] than for the groups in the ortho positions [28.76â (13)-39.84â (11)°].
1-Methyl-piperazine-1,4-diium dipicrate.
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作者:Dutkiewicz Grzegorz, Samshuddin S, Narayana B, Yathirajan H S, Kubicki Maciej
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2011 | 起止号: | 2011 Jan 15; 67(Pt 2):o390-1 |
| doi: | 10.1107/S1600536811001024 | ||
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