Crystal structure of 1,10-phenanthrolinium violurate violuric acid pentahydrate

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-11-01 DOI:10.1107/S205698902401065X

Rüdiger W. Seidel , Tsonko M. Kolev

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引用次数: 0

Abstract

The crystal structure of the co-crystal salt solvate 1,10-phenanthrolinium violurate violuric acid pentahydrate features a tri-periodic hydrogen-bonded network with the violurate and violuric acid residues each assembled into tapes and the phenanthrolinium cations residing in channels.

The title compound [systematic name: 1,10-phenanthrolinium 6-hydroxy-5-(oxidoimino)-1,3-diazinane-2,4-dione–6-hydroxy-5-(hydroxyimino)-1,3-diazinane-2,4-dione–water (1/1/5)], C₁₂H₉N₂⁺·C₄H₂N₃O₄⁻·C₄H₃N₃O₄·5H₂O, is a co-crystal salt hydrate comprising 1,10-phenanthrolinium cations, violurate anions, free violuric acid as co-former and five water molecules of crystallization per formula unit. The violurate and the violuric acid residues each form distinct N—H⋯O hydrogen-bonded tapes with a common R²₂(8) hydrogen-bond motif extending parallel to (103). Solvent water molecules connect the tapes to form a tri-periodic hydrogen-bonded network with channels extending parallel to the a-axis direction, which accommodate the N—H⋯O_water hydrogen-bonded 1,10-phenanthrolinium cations. Direct N—H⋯O hydrogen bonds between the 1,10-phenanthrolinium and violurate ions are not encountered.

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五水合1,10-邻菲罗啉紫尿酸的晶体结构

共晶溶剂盐1,10-邻菲罗啉-紫罗兰酸五水合物的晶体结构具有三周期氢键网络，紫罗兰酸和紫罗兰酸残基各自聚集成带状，邻菲罗啉阳离子位于通道中。标题化合物[系统名称：1,10-菲罗啉6-羟基-5-（氧化亚胺）-1,3-二嗪烷-2,4-二酮- 6-羟基-5-（羟基亚胺）-1,3-二嗪烷-2,4-二嗪-水（1/1/5）]C12H9N2+·C4H2N3O4 -·C4H3N3O4·5H2O]是一种共晶盐水合物，由1,10-菲罗啉阳离子、反相阴离子、游离紫嘌呤共前身和每个分子式单位有5个水分子结晶组成。紫罗兰酸残基和紫罗兰酸残基各自形成不同的N-H⋯O氢键带，具有平行于（103）的公共R22(8)氢键基序。溶剂水分子将带连接起来，形成三周期氢键网络，其通道平行于a轴方向延伸，可容纳N-H⋯o水氢键1,10-邻菲罗啉阳离子。1,10-邻菲罗啉和违规离子之间没有直接的N-H⋯O氢键。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

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.

Crystal structure of 1,10-phenanthrolinium violurate violuric acid penta­hydrate

Abstract

Crystal structure of 1,10-phenanthrolinium violurate violuric acid pentahydrate