Methyl 3-[(tert-butoxycarbonyl)amino]benzoate

IUCrData Pub Date : 2025-06-01 DOI:10.1107/S2414314625005425

Murugesan Ponmagaram , Krishnan Saranraj , Karuppiah Muruga Poopathi Raja

{"title":"Methyl 3-[(tert-butoxycarbonyl)amino]benzoate","authors":"Murugesan Ponmagaram , Krishnan Saranraj , Karuppiah Muruga Poopathi Raja","doi":"10.1107/S2414314625005425","DOIUrl":null,"url":null,"abstract":"<div><div>In the extended structure of the title compound, molecular pairs are connected <em>via</em> N—H⋯O and C—H⋯O hydrogen bonds, generating inversion dimers characterized by <em>R</em><sup>2</sup><sub>2</sub>(10) graph-set motifs. These dimers further associate through N—H⋯O and C—H⋯O interactions, forming supramolecular layers lying parallel to the (104) crystallographic plane. Aromatic π–π stacking interactions and C—H⋯π contacts contribute to the tri-periodic supramolecular architecture.</div></div><div><div>In the extended structure of the title compound, C<sub>13</sub>H<sub>17</sub>NO<sub>4</sub>, molecular pairs are connected <em>via</em> N—H⋯O and C—H⋯O hydrogen bonds, generating inversion dimers characterized by <em>R</em><sup>2</sup><sub>2</sub>(10) graph-set motifs. These dimers further associate through N—H⋯O and C—H⋯O interactions, forming supramolecular layers lying parallel to the (104) crystallographic plane. Aromatic π–π stacking interactions and C—H⋯π contacts contribute to the tri-periodic supramolecular architecture.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (182KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 6","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2025-06-01","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/S2414314625000562","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 0

Abstract

In the extended structure of the title compound, molecular 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 interactions, forming supramolecular layers lying parallel to the (104) crystallographic plane. Aromatic π–π stacking interactions and C—H⋯π contacts contribute to the tri-periodic supramolecular architecture.

In the extended structure of the title compound, C₁₃H₁₇NO₄, molecular 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 interactions, forming supramolecular layers lying parallel to the (104) crystallographic plane. Aromatic π–π stacking interactions and C—H⋯π contacts contribute to the tri-periodic supramolecular architecture.