Murugesan Ponmagaram, Krishnan Saranraj, Karuppiah Muruga Poopathi Raja
{"title":"3 - ((tert-but-oxy-carbon-yl)氨基)苯甲酸甲酯。","authors":"Murugesan Ponmagaram, Krishnan Saranraj, Karuppiah Muruga Poopathi Raja","doi":"10.1107/S2414314625005425","DOIUrl":null,"url":null,"abstract":"<p><p>In the extended structure of the title compound, C<sub>13</sub>H<sub>17</sub>NO<sub>4</sub>, mol-ecular pairs are connected <i>via</i> N-H⋯O and C-H⋯O hydrogen bonds, generating inversion dimers characterized by <i>R</i> <sup>2</sup> <sub>2</sub>(10) graph-set motifs. These dimers further associate through N-H⋯O and C-H⋯O inter-actions, forming supra-molecular layers lying parallel to the (104) crystallographic plane. Aromatic π-π stacking inter-actions and C-H⋯π contacts contribute to the tri-periodic supra-molecular architecture.</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 Pt 6","pages":"x250542"},"PeriodicalIF":0.0000,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12230597/pdf/","citationCount":"0","resultStr":"{\"title\":\"Methyl 3-[(<i>tert</i>-but-oxy-carbon-yl)amino]-benzoate.\",\"authors\":\"Murugesan Ponmagaram, Krishnan Saranraj, Karuppiah Muruga Poopathi Raja\",\"doi\":\"10.1107/S2414314625005425\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>In the extended structure of the title compound, C<sub>13</sub>H<sub>17</sub>NO<sub>4</sub>, mol-ecular pairs are connected <i>via</i> N-H⋯O and C-H⋯O hydrogen bonds, generating inversion dimers characterized by <i>R</i> <sup>2</sup> <sub>2</sub>(10) graph-set motifs. These dimers further associate through N-H⋯O and C-H⋯O inter-actions, forming supra-molecular layers lying parallel to the (104) crystallographic plane. Aromatic π-π stacking inter-actions and C-H⋯π contacts contribute to the tri-periodic supra-molecular architecture.</p>\",\"PeriodicalId\":94324,\"journal\":{\"name\":\"IUCrData\",\"volume\":\"10 Pt 6\",\"pages\":\"x250542\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2025-06-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12230597/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"IUCrData\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1107/S2414314625005425\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/6/1 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S2414314625005425","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/6/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
In the extended structure of the title compound, C13H17NO4, mol-ecular pairs are connected via N-H⋯O and C-H⋯O hydrogen bonds, generating inversion dimers characterized by R22(10) graph-set motifs. These dimers further associate through N-H⋯O and C-H⋯O inter-actions, forming supra-molecular layers lying parallel to the (104) crystallographic plane. Aromatic π-π stacking inter-actions and C-H⋯π contacts contribute to the tri-periodic supra-molecular architecture.
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