meso-α,α-5,15-双(邻烟酰胺苯基)-10,20-二苯基卟啉正己烷单溶酯

IUCrData Pub Date : 2023-12-01 DOI:10.1107/S2414314623010854

Xiaotao Sun , Jianfeng Li , S. Bernès (Editor)

{"title":"meso-α,α-5,15-双(邻烟酰胺苯基)-10,20-二苯基卟啉正己烷单溶酯","authors":"Xiaotao Sun , Jianfeng Li , S. Bernès (Editor)","doi":"10.1107/S2414314623010854","DOIUrl":null,"url":null,"abstract":"<div><div>In the title porphyrin solvate, the macrocycle shows a characteristic saddle-shaped distortion.</div></div><div><div>The structure of the title solvated porphyrin, C<sub>56</sub>H<sub>38</sub>N<sub>8</sub>O<sub>2</sub>·C<sub>6</sub>H<sub>14</sub>, is reported. Two porphyrin molecules, one ordered and one disordered <em>n</em>-hexane solvate molecules are present in its asymmetric unit. The porphyrin macrocycle shows a characteristic saddle-shaped distortion, and the maximum deviation from the mean plane for non-hydrogen atoms is 0.48 Å. N—H⋯N, N—H⋯O, and C—H⋯O hydrogen bonds, as well as π<em>–</em>π interactions, are observed in the crystal structure. <span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (350KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span> </div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"8 12","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"meso-α,α-5,15-Bis(o-nicotinamidophenyl)-10,20-diphenylporphyrin n-hexane monosolvate\",\"authors\":\"Xiaotao Sun , Jianfeng Li , S. Bernès (Editor)\",\"doi\":\"10.1107/S2414314623010854\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>In the title porphyrin solvate, the macrocycle shows a characteristic saddle-shaped distortion.</div></div><div><div>The structure of the title solvated porphyrin, C<sub>56</sub>H<sub>38</sub>N<sub>8</sub>O<sub>2</sub>·C<sub>6</sub>H<sub>14</sub>, is reported. Two porphyrin molecules, one ordered and one disordered <em>n</em>-hexane solvate molecules are present in its asymmetric unit. The porphyrin macrocycle shows a characteristic saddle-shaped distortion, and the maximum deviation from the mean plane for non-hydrogen atoms is 0.48 Å. N—H⋯N, N—H⋯O, and C—H⋯O hydrogen bonds, as well as π<em>–</em>π interactions, are observed in the crystal structure. <span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (350KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span> </div></div>\",\"PeriodicalId\":94324,\"journal\":{\"name\":\"IUCrData\",\"volume\":\"8 12\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-12-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"IUCrData\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S2414314623002195\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2414314623002195","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 0

摘要

报告了标题溶解卟啉 C56H38N8O2-C6H14 的结构。在其不对称单元中存在两个卟啉分子、一个有序的正己烷溶胶分子和一个无序的正己烷溶胶分子。卟啉大环呈现出特有的马鞍形畸变，非氢原子与平均平面的最大偏差为 0.48 Å。晶体结构中观察到 N-H...N、N-H...O 和 C-H...O 氢键以及 π-π 相互作用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文

微信好友朋友圈 QQ好友复制链接

本刊更多论文

meso-α,α-5,15-Bis(o-nicotinamidophenyl)-10,20-diphenylporphyrin n-hexane monosolvate

In the title porphyrin solvate, the macrocycle shows a characteristic saddle-shaped distortion.

The structure of the title solvated porphyrin, C₅₆H₃₈N₈O₂·C₆H₁₄, is reported. Two porphyrin molecules, one ordered and one disordered n-hexane solvate molecules are present in its asymmetric unit. The porphyrin macrocycle shows a characteristic saddle-shaped distortion, and the maximum deviation from the mean plane for non-hydrogen atoms is 0.48 Å. N—H⋯N, N—H⋯O, and C—H⋯O hydrogen bonds, as well as π–π interactions, are observed in the crystal structure.

Download: Download high-res image (350KB)
Download: Download full-size image

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