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3 - [（叔丁氧基羰基）氨基]苯甲酸甲酯

Methyl 3-[(-but-oxy-carbon-yl)amino]-benzoate.

作者信息

Ponmagaram Murugesan, Saranraj Krishnan, Raja Karuppiah Muruga Poopathi

机构信息

Chemical Biology and Biophysical Laboratory Department of Physical Chemistry School of Chemistry Madurai Kamaraj University,Madurai - 625 021 Tamilnadu India.

Chemical Biology and Biophysical Laboratory Department of Chemistry School of Physical Sciences Sabarmati Building Tejaswini Hills Central University of Kerala, Periye Kasaragod District - 671 320 Kerala India.

出版信息

IUCrdata. 2025 Jun 24;10(Pt 6):x250542. doi: 10.1107/S2414314625005425. eCollection 2025 Jun.

DOI:10.1107/S2414314625005425
PMID:40630062
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12230597/
Abstract

In the extended structure of the title compound, CHNO, mol-ecular pairs are connected N-H⋯O and C-H⋯O hydrogen bonds, generating inversion dimers characterized by (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.

摘要

在标题化合物CHNO的扩展结构中，分子对通过N-H⋯O和C-H⋯O氢键相连，形成具有(10)图集 motif特征的反演二聚体。这些二聚体通过N-H⋯O和C-H⋯O相互作用进一步缔合，形成平行于(104)晶面的超分子层。芳香π-π堆积相互作用和C-H⋯π接触有助于形成三维超分子结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f8f3/12230597/a02c19a890b5/x-10-x250542-fig1.jpg

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