Abderrazzak El Moutaouakil Ala Allah , Benson M. Kariuki , Ahlam I. Al-Sulami , Maram T. Basha , Basmah H. Allehyani , Abdulsalam Alsubari , Joel T. Mague , Youssef Ramli
{"title":"2-叠氮- n-(2,6-二甲基苯基)乙酰胺的合成、晶体结构及Hirshfeld表面分析。","authors":"Abderrazzak El Moutaouakil Ala Allah , Benson M. Kariuki , Ahlam I. Al-Sulami , Maram T. Basha , Basmah H. Allehyani , Abdulsalam Alsubari , Joel T. Mague , Youssef Ramli","doi":"10.1107/S2056989025004530","DOIUrl":null,"url":null,"abstract":"<div><div>The asymmetric unit of the title compound, C<sub>10</sub>H<sub>12</sub>N<sub>4</sub>O, consists of two independent molecules differing in the rotational orientation of the 2-azidoacetamido group.</div></div><div><div>The asymmetric unit of the title compound, C<sub>10</sub>H<sub>12</sub>N<sub>4</sub>O, consists of two independent molecules differing in the rotational orientation of the 2-azidoacetamido group. In the crystal, inspection of the contacts of the methyl groups shows an intramolecular H⋯O distance of 2.47 Å in one molecule and intermolecular H⋯N distances of 2.75 Å in both independent molecules. Both are definitely van der Waals contacts with the latter quite short as the H⋯O distance is 0.39 Å less than the sum of the respective van der Waals radii. A Hirshfeld surface analysis indicates that the H⋯H contacts make the largest contribution. In the absence of any specific C—H⋯N hydrogen bonds, the significant contribution of N⋯H/H⋯N contacts (24.7%) might seem surprising, but with the azide group projecting away from the rest of the molecule, there is considerable opportunity for such contacts to occur.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 7","pages":"Pages 627-631"},"PeriodicalIF":0.6000,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Synthesis, crystal structure and Hirshfeld surface analysis of 2-azido-N-(2,6-dimethylphenyl)acetamide\",\"authors\":\"Abderrazzak El Moutaouakil Ala Allah , Benson M. Kariuki , Ahlam I. Al-Sulami , Maram T. Basha , Basmah H. Allehyani , Abdulsalam Alsubari , Joel T. Mague , Youssef Ramli\",\"doi\":\"10.1107/S2056989025004530\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The asymmetric unit of the title compound, C<sub>10</sub>H<sub>12</sub>N<sub>4</sub>O, consists of two independent molecules differing in the rotational orientation of the 2-azidoacetamido group.</div></div><div><div>The asymmetric unit of the title compound, C<sub>10</sub>H<sub>12</sub>N<sub>4</sub>O, consists of two independent molecules differing in the rotational orientation of the 2-azidoacetamido group. In the crystal, inspection of the contacts of the methyl groups shows an intramolecular H⋯O distance of 2.47 Å in one molecule and intermolecular H⋯N distances of 2.75 Å in both independent molecules. Both are definitely van der Waals contacts with the latter quite short as the H⋯O distance is 0.39 Å less than the sum of the respective van der Waals radii. A Hirshfeld surface analysis indicates that the H⋯H contacts make the largest contribution. In the absence of any specific C—H⋯N hydrogen bonds, the significant contribution of N⋯H/H⋯N contacts (24.7%) might seem surprising, but with the azide group projecting away from the rest of the molecule, there is considerable opportunity for such contacts to occur.</div></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"81 7\",\"pages\":\"Pages 627-631\"},\"PeriodicalIF\":0.6000,\"publicationDate\":\"2025-07-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S2056989025001240\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989025001240","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Synthesis, crystal structure and Hirshfeld surface analysis of 2-azido-N-(2,6-dimethylphenyl)acetamide
The asymmetric unit of the title compound, C10H12N4O, consists of two independent molecules differing in the rotational orientation of the 2-azidoacetamido group.
The asymmetric unit of the title compound, C10H12N4O, consists of two independent molecules differing in the rotational orientation of the 2-azidoacetamido group. In the crystal, inspection of the contacts of the methyl groups shows an intramolecular H⋯O distance of 2.47 Å in one molecule and intermolecular H⋯N distances of 2.75 Å in both independent molecules. Both are definitely van der Waals contacts with the latter quite short as the H⋯O distance is 0.39 Å less than the sum of the respective van der Waals radii. A Hirshfeld surface analysis indicates that the H⋯H contacts make the largest contribution. In the absence of any specific C—H⋯N hydrogen bonds, the significant contribution of N⋯H/H⋯N contacts (24.7%) might seem surprising, but with the azide group projecting away from the rest of the molecule, there is considerable opportunity for such contacts to occur.
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.