由三聚氰胺和脂肪族羧酸组装而成的三种三维超分子有机盐:制备、晶体表征和希尔施菲尔德表面分析

IF 0.4 4区 化学 Q4 CRYSTALLOGRAPHY Journal of Chemical Crystallography Pub Date : 2024-04-12 DOI:10.1007/s10870-024-01014-5
Zhaozhi Li, Xuele Lin, Xingjun Gao, Shouwen Jin, Xusen Gong, Daqi Wang
{"title":"由三聚氰胺和脂肪族羧酸组装而成的三种三维超分子有机盐:制备、晶体表征和希尔施菲尔德表面分析","authors":"Zhaozhi Li,&nbsp;Xuele Lin,&nbsp;Xingjun Gao,&nbsp;Shouwen Jin,&nbsp;Xusen Gong,&nbsp;Daqi Wang","doi":"10.1007/s10870-024-01014-5","DOIUrl":null,"url":null,"abstract":"<div><p>Three crystalline organic salts (melamine)<sub>2</sub>: (itaconic acid): 3H<sub>2</sub>O [(Hmem)<sub>2</sub><sup>2+</sup>·(itca<sup>2−</sup>)·(H<sub>2</sub>O)<sub>3</sub>, itca<sup>2−</sup> = itaconate] <b>(1)</b>, (melamine)<sub>2</sub>:(2-bromo-but-2-enedioic acid):DMF:2H<sub>2</sub>O [(Hmem<sup>+</sup>)<sub>2</sub>·(bbda<sup>2−</sup>)·DMF·(H<sub>2</sub>O)<sub>2</sub>, bbda<sup>2−</sup> = 2-bromo-but-2-enedioate] <b>(2)</b> and (melamine):(α-ketoglutaric acid) [(Hmem<sup>+</sup>)·(Hketglua<sup>−</sup>), Hketglua<sup>−</sup> = hydrogen α-ketoglutarate] <b>(3)</b> were featured by X-ray diffraction analysis, IR, mp, and elemental analysis. Significant non-covalent interactions were calculated by means of the Hirshfeld surface analysis. All salts involve extensive N–H···OH-bonds as well as other non-covalent associations. The melamine polymers/dimers were set up at <b>1</b>–<b>2</b>/<b>3</b> by the pair of complmentary N–H···NH-bonds. The role of these non-covalent interactions in the crystal packing is ascertained. These weak interactions combined, all salts exhibited 3D framework motifs.</p><h3>Graphical Abstract</h3><p>The crystal structures of the salts from melamine, itaconic acid, 2-bromo-but-2-enedioic acid and α-ketoglutaric acid are predominantly stabilized by the classical hydrogen bonds as well as CH2···O, CH3···O, Br···Br, C···C, O···C, and π···π interactions.\n</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"54 3","pages":"209 - 224"},"PeriodicalIF":0.4000,"publicationDate":"2024-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Three 3D Supramolecular Organic Salts Assembled from Melamine and Aliphatic Carboxylic Acids: Preparation, Crystallographic Characterization, and Hirshfeld Surface Analysis\",\"authors\":\"Zhaozhi Li,&nbsp;Xuele Lin,&nbsp;Xingjun Gao,&nbsp;Shouwen Jin,&nbsp;Xusen Gong,&nbsp;Daqi Wang\",\"doi\":\"10.1007/s10870-024-01014-5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Three crystalline organic salts (melamine)<sub>2</sub>: (itaconic acid): 3H<sub>2</sub>O [(Hmem)<sub>2</sub><sup>2+</sup>·(itca<sup>2−</sup>)·(H<sub>2</sub>O)<sub>3</sub>, itca<sup>2−</sup> = itaconate] <b>(1)</b>, (melamine)<sub>2</sub>:(2-bromo-but-2-enedioic acid):DMF:2H<sub>2</sub>O [(Hmem<sup>+</sup>)<sub>2</sub>·(bbda<sup>2−</sup>)·DMF·(H<sub>2</sub>O)<sub>2</sub>, bbda<sup>2−</sup> = 2-bromo-but-2-enedioate] <b>(2)</b> and (melamine):(α-ketoglutaric acid) [(Hmem<sup>+</sup>)·(Hketglua<sup>−</sup>), Hketglua<sup>−</sup> = hydrogen α-ketoglutarate] <b>(3)</b> were featured by X-ray diffraction analysis, IR, mp, and elemental analysis. Significant non-covalent interactions were calculated by means of the Hirshfeld surface analysis. All salts involve extensive N–H···OH-bonds as well as other non-covalent associations. The melamine polymers/dimers were set up at <b>1</b>–<b>2</b>/<b>3</b> by the pair of complmentary N–H···NH-bonds. The role of these non-covalent interactions in the crystal packing is ascertained. These weak interactions combined, all salts exhibited 3D framework motifs.</p><h3>Graphical Abstract</h3><p>The crystal structures of the salts from melamine, itaconic acid, 2-bromo-but-2-enedioic acid and α-ketoglutaric acid are predominantly stabilized by the classical hydrogen bonds as well as CH2···O, CH3···O, Br···Br, C···C, O···C, and π···π interactions.\\n</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>\",\"PeriodicalId\":615,\"journal\":{\"name\":\"Journal of Chemical Crystallography\",\"volume\":\"54 3\",\"pages\":\"209 - 224\"},\"PeriodicalIF\":0.4000,\"publicationDate\":\"2024-04-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Crystallography\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10870-024-01014-5\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Crystallography","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10870-024-01014-5","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0

摘要

三种结晶有机盐(三聚氰胺)2:(衣康酸):3H2O[(Hmem)22+-(itca2-)-(H2O)3,itca2- = itaconate] (1),(三聚氰胺)2:(2-溴-2-丁烯二酸):DMF:2H2O [(Hmem+)2-(bbda2-)-DMF-(H2O)2,bbda2- = 2-溴-2-丁烯二酸] (2)和(三聚氰胺):(α-ketoglutaric acid) [(Hmem+)-(Hketglua-),Hketglua- = α-ketoglutarate 氢] (3) 的特点。重要的非共价相互作用是通过 Hirshfeld 表面分析计算得出的。所有盐类都含有广泛的 N-H-OH 键以及其他非共价键。三聚氰胺聚合物/二聚体通过一对共价 N-H-NH 键形成 1-2/3。这些非共价相互作用在晶体堆积中的作用已得到确定。图解摘要三聚氰胺、衣康酸、2-溴-2-丁烯二酸和α-酮戊二酸盐的晶体结构主要由经典氢键以及CH2--O、CH3--O、Br--Br、C--C、O--C和π--π相互作用稳定。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

摘要图片

摘要图片

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Three 3D Supramolecular Organic Salts Assembled from Melamine and Aliphatic Carboxylic Acids: Preparation, Crystallographic Characterization, and Hirshfeld Surface Analysis

Three crystalline organic salts (melamine)2: (itaconic acid): 3H2O [(Hmem)22+·(itca2−)·(H2O)3, itca2− = itaconate] (1), (melamine)2:(2-bromo-but-2-enedioic acid):DMF:2H2O [(Hmem+)2·(bbda2−)·DMF·(H2O)2, bbda2− = 2-bromo-but-2-enedioate] (2) and (melamine):(α-ketoglutaric acid) [(Hmem+)·(Hketglua), Hketglua = hydrogen α-ketoglutarate] (3) were featured by X-ray diffraction analysis, IR, mp, and elemental analysis. Significant non-covalent interactions were calculated by means of the Hirshfeld surface analysis. All salts involve extensive N–H···OH-bonds as well as other non-covalent associations. The melamine polymers/dimers were set up at 12/3 by the pair of complmentary N–H···NH-bonds. The role of these non-covalent interactions in the crystal packing is ascertained. These weak interactions combined, all salts exhibited 3D framework motifs.

Graphical Abstract

The crystal structures of the salts from melamine, itaconic acid, 2-bromo-but-2-enedioic acid and α-ketoglutaric acid are predominantly stabilized by the classical hydrogen bonds as well as CH2···O, CH3···O, Br···Br, C···C, O···C, and π···π interactions.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
CiteScore
1.50
自引率
12.50%
发文量
56
审稿时长
6.3 months
期刊介绍: Journal of Chemical Crystallography is an international and interdisciplinary publication dedicated to the rapid dissemination of research results in the general areas of crystallography and spectroscopy. Timely research reports detail topics in crystal chemistry and physics and their relation to problems of molecular structure; structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X-ray, and electron and neutron diffraction; and theoretical studies.
期刊最新文献
The Versatility of the Dicyanamide Anion (Dca) as a Bridging Ligand: Synthesis, Structure and Theory of a Unique Ladder Chain Consisting of 2 µ1,5-dca Bridged Dinuclear Cu2(dca)2 Units with Additional µ1,3-dca Bridges Along the Chain Synthesis, Crystal Structure and Fluorescent Property of a Novel Cd(II) Coordination Polymer based on Nitrogen-Containing Ligands Synthesis and Crystal Structures of Ferrocenylamine Alcohols of Ferrocenylformaldehyde with Aminoalcohols Solvent-Free Synthesis, Crystal Structure and Molecular Docking of N-(2-Hydroxyethyl) Piperazinum Chloride with Selected Biological Proteins Molecular and Crystal Structures of Some Bromocymantrenes
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1