Crystal structure of 3-methylpyridinium picrate: a triclinic polymorph

被引：4

作者：

Gomathi, Jeganathan ^{[1
]}

Kalaivani, Doraisamyraja ^{[1
]}

机构：

[1] Seethalakshmi Ramaswami Coll, PG & Res Dept Chem, Tiruchirappalli 620002, Tamil Nadu, India

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2015年 / 71卷

关键词：

crystal structure; 3-methylpyridinium picrate; triclinic polymorph; pi-pi stacking; anticonvulsant activity;

D O I：

10.1107/S2056989015017090

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The title molecular salt, C6H8N+center dot C6H2N3O7-(systematic name: 3-methylpyridinium 2,4,6-trinitrophenolate), crystallizes in the triclinic space group P (1) over bar. The crystal structure of the monoclinic polymorph (space group P2(1)/n) has been reported [Stilinovic & Kaitner (2011). Cryst. Growth Des. 11, 4110-4119]. In the crystal, the anion and cation are linked via bifurcated N-H center dot center dot center dot(O,O) hydrogen bonds, enclosing an R-1(2) (6) graph-set motif. These units are linked via C-H center dot center dot center dot O hydrogen bonds, forming a three-dimensional framework. Within the framework there are pi-pi interactions present, involving inversion-related picrate anions and inversion-related pyridinium cations, with inter-centroid distances of 3.7389 (14) and 3.560 (2) angstrom, respectively.

引用

页码：1196 / +

页数：8

共 16 条

[1] COMPLETION AND REFINEMENT OF CRYSTAL-STRUCTURES WITH SIR92
ALTOMARE, A
CASCARANO, G
GIACOVAZZO, C
GUAGLIARDI, A
[J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1993, 26 (pt 3) : 343 - 350
[2] New Molecular Salts from Chloronitroaromatic Compounds, 1,3-Disubstituted pyrimidine-2,4,6(1H,3H,5H)-trione and Amines: Synthesis, Characterization, Thermal Behavior and Crystal Structure
Babykala, R.
Rajamani, K.
Muthulakshmi, S.
Kalaivani, D.
[J]. JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, 2014, 44 (05) : 243 - 254
[3] Bhattacharya Salil K., 1998, Indian Journal of Experimental Biology, V36, P118
[4] Bruker, 2004, APEX2 SAINT XPREP SA
[5] 2-Methylpyridinium 2,6-Dioxo-5-(2,4,6-Trinitrophenyl)-1,2,3,6-Tetrahydropyrimidin-4-Olate: Synthesis, Characterization, Single Crystal X-ray Analysis and Evaluation of Anticonvulsant/Hypnotic activity and Toxicity Effects
Buvaneswari, M.
Kalaivani, D.
[J]. JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, 2013, 43 (11) : 561 - 567
[6] WinGX and ORTEP for Windows: an update
Farrugia, Louis J.
[J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2012, 45 : 849 - 854
[7] The Cambridge Structural Database in Retrospect and Prospect
Groom, Colin R.
Allen, Frank H.
[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2014, 53 (03) : 662 - 671
[8] Mercury CSD 2.0 -: new features for the visualization and investigation of crystal structures
Macrae, Clare F.
Bruno, Ian J.
Chisholm, James A.
Edgington, Paul R.
McCabe, Patrick
Pidcock, Elna
Rodriguez-Monge, Lucia
Taylor, Robin
van de Streek, Jacco
Wood, Peter A.
[J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2008, 41 : 466 - 470
[9] 2-Methylpyridinium/pyridinium 5-(2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olates as potent anticonvulsant agents-synthesis and crystal structure
Mangaiyarkarasi, G.
Kalaivani, D.
[J]. CRYSTALLOGRAPHY REPORTS, 2013, 58 (07) : 1096 - 1102
[10] Manickkam V., 2014, ACTA CRYSTALLOGR E, VE70, P256

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