Crystal structure of the 1:1 co-crystal 4-(di­methylamino)­pyridin-1-ium 8-hy­droxy­quinoline-5-sulfonate–N,N-di­methyl­pyridin-4-amine

IF 0.5 Q4 CRYSTALLOGRAPHY
Mami Isobe , Yukiyasu Kashiwagi , Koji Kubono
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引用次数: 0

Abstract

The asymmetric unit of the title compound consists of two independent ion pairs of 4-(di­methyl­amino)­pyridin-1-ium quinolin-8-ol-5-sulfonate (HDMAP+·HqSA) and neutral N,N-di­methyl­pyridin-4-amine (DMAP), forming a 1:1:1 cation:anion:neutral mol­ecule co-crystal. The compound has a layered structure, including cation layers of HDMAP+ with DMAP and anion layers of HqSA in the crystal. The cation and anion layers are linked by inter­molecular C—H⋯O hydrogen bonds and C—H⋯π inter­actions.

The asymmetric unit of the title compound is composed of two independent ion pairs of 4-(di­methyl­amino)­pyridin-1-ium 8-hy­droxy­quinoline-5-sulfonate (HDMAP+·HqSA, C7H11N2+·C9H6NO4S) and neutral N,N-di­methyl­pyridin-4-amine mol­ecules (DMAP, C7H10N2), co-crystallized as a 1:1:1 HDMAP+:HqSA:DMAP adduct in the monoclinic system, space group Pc. The compound has a layered structure, including cation layers of HDMAP+ with DMAP and anion layers of HqSA in the crystal. In the cation layer, there are inter­molecular N—H⋯N hydrogen bonds between the protonated HDMAP+ mol­ecule and the neutral DMAP mol­ecule. In the anion layer, each HqSA is surrounded by other six HqSA, where the planar network structure is formed by inter­molecular O—H⋯O and C—H⋯O hydrogen bonds. The cation and anion layers are linked by inter­molecular C—H⋯O hydrogen bonds and C—H⋯π inter­actions.

1:1 共晶体 4-(二甲基氨基)吡啶-1-鎓 8-羟基喹啉-5-磺酸盐-N,N-二甲基吡啶-4-胺的晶体结构
标题化合物的不对称单元由 4-(二甲基氨基)吡啶-1-鎓 8-羟基喹啉-5-磺酸盐(HDMAP+-HqSA-,C7H11N2 +-C9H6NO4S-)和中性 N,N-二甲基吡啶-4-胺分子(DMAP,C7H10N2)的两个独立离子对组成,共晶体为 1:1:1 HDMAP+:HqSA-:DMAP 加合物的单斜体系,空间群为 Pc。该化合物具有层状结构,晶体中包括 HDMAP+ 与 DMAP 的阳离子层和 HqSA- 的阴离子层。在阳离子层中,质子化的 HDMAP+ 分子与中性的 DMAP 分子之间存在分子间 N-H...N 氢键。在阴离子层中,每个 HqSA- 被其他六个 HqSA- 包围,分子间的 O-H...O 和 C-H...O 氢键形成平面网络结构。阳离子层和阴离子层通过分子间的 C-H...O 氢键和 C-H...π 相互作用连接在一起。
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来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
期刊介绍: Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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