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首页> 外文期刊>Journal of chemical crystallography >Crystal structure determination of salts obtained from Cocrystallization of 2,6-Dinitrobenzoic with 2,2'-Bipyridine and 4,4'-Bipyridine
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Crystal structure determination of salts obtained from Cocrystallization of 2,6-Dinitrobenzoic with 2,2'-Bipyridine and 4,4'-Bipyridine

机译：由2,6-二硝基苯甲酸与2,2'-联吡啶和4,4'-联吡啶共结晶制得的盐的晶体结构测定

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摘要

The 2:1 cocrystallization of 2,6-dinitrobenzoic acid [LH] with 2,2'-bipyridine [2,2'-bpy] yields a salt cocrystal with formula [2,2'-bpyH][LH][L] which features a three component aggregate where the L~((-)) anion bridges [2,2'-bpyH]~((+)) and neutral LH via N-H···O and O-H···O hydrogen bonds, respectively. The analogous experiment with 4,4'-bipyridine [4,4'-bpy] produced [4,4'-bpyH_2][L]_2, which also features a three component aggregate but with twofold symmetry and sustained by N-H···O hydrogen bonds. Compound 1 crystallizes in the monoclinic space group P2_1/c with a = 7.707(4) ?, b = 20.966(10) ?, c = 15.267(7) ?, β = 96.259 (10), and Z = 4. Compound 2 crystallizes in the monoclinic space group C2/c with a = 13.552(5) ?, b = 11.299(4) ?, c = 15.858 (6) ?, β = 102.036(7) and Z = 4. Graphical Abstract: The 2:1 cocrystallization of 2,6-dinitrobenzoic acid with each of 2,2'-bipyridine and 4,4'-bipyridine yields molecules of the same empirical formulae but very different crystal structures.[Figure not available: see fulltext.]
机译：2,6-二硝基苯甲酸[LH]与2,2'-联吡啶[2,2'-bpy]的2：1共结晶，生成具有式[2,2'-bpyH] [LH] [L]的盐共结晶具有三个组分的聚集体，其中L〜（（-））阴离子通过NH··O和OH···O氢键分别桥接[2,2'-bpyH]〜（（+））和中性LH 。用4,4'-联吡啶[4,4'-bpy]进行的类似实验产生了[4,4'-bpyH_2] [L] _2，它也具有三组分聚集体，但具有双重对称性，并受NH··· O氢键。化合物1在单斜空间群P2_1 / c中以a = 7.707（4）α，b = 20.966（10）α，c = 15.267（7）α，β= 96.259（10）和Z = 4结晶。在单斜空间群C2 / c中结晶，其中a = 13.552（5）？，b = 11.299（4）？，c = 15.858（6）？，β= 102.036（7）和Z = 4.图形摘要：2 2，6-二硝基苯甲酸与2,2'-联吡啶和4,4'-联吡啶中的每一个进行1：1共结晶，得到的分子具有相同的经验式，但晶体结构却非常不同。

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