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8-甲基-3-甲基硫烷基-8a,8b-二氢-5H-1,3,4-恶二氮杂萘并[1,2-a]喹喔啉。 （注：原文中化学名称的表述可能不太准确规范，我按照合理推测翻译，比如“1-oxa-2,4-di-aza-ace-naphthyl-ene”推测为“1,3,4-恶二氮杂萘并[1,2-a]喹喔啉”这种结构。）

8-Methyl-3-methyl-sulfanyl-8a,8b-di-hydro-5-1-oxa-2,4-di-aza-ace-naphthyl-ene.

作者信息

Abou Akoun, Bamba Fanté, Marrot Jérôme, Yaya Soro, Coustard Jean-Marie

机构信息

Department of Training and Research in Electrical and Electronic Engineering, Research Team: Instrumentation, Image and Spectroscopy, Félix Houphouët-Boigny National Polytechnic Institute, BP 1093 Yamoussoukro, Côte d'Ivoire.

Laboratoire de Constitution et Réaction de la Matière, UFR SSMT, Université Félix Houphouët-Boigny, 22 BP 582 Abidjan 22, Côte d'Ivoire.

出版信息

IUCrdata. 2021 Jun 30;6(Pt 6):x210674. doi: 10.1107/S241431462100674X. eCollection 2021 Jun.

DOI:10.1107/S241431462100674X
PMID:36337322
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9462342/
Abstract

In the tricyclic title compound, CHNOS, the 2,3,4,5-tetra-hydro-pyridine ring adopts a half-chair conformation. This ring makes dihedral angles of 27.72 (7) and 45.17 (7)°, respectively, with the isoxazole and the cyclo-hexa-1,3-diene rings while the isoxazole ring is oriented at an acute angle of 63.46 (7)° with respect to the cyclo-hexa-1,3-diene ring. In the crystal, mol-ecules associate C-H⋯N hydrogen bonds and C-H⋯π inter-actions, forming a three-dimensional network.

摘要

在三环标题化合物CHNOS中，2,3,4,5-四氢吡啶环呈半椅式构象。该环与异恶唑环和环己-1,3-二烯环分别形成27.72 (7)°和45.17 (7)°的二面角，而异恶唑环相对于环己-1,3-二烯环以63.46 (7)°的锐角取向。在晶体中，分子通过C-H⋯N氢键和C-H⋯π相互作用缔合，形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e975/9462342/7d747f4cb6a9/x-06-x210674-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e975/9462342/b88c4b935ca8/x-06-x210674-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e975/9462342/c6fb50b08bc4/x-06-x210674-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e975/9462342/7d747f4cb6a9/x-06-x210674-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e975/9462342/b88c4b935ca8/x-06-x210674-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e975/9462342/c6fb50b08bc4/x-06-x210674-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e975/9462342/7d747f4cb6a9/x-06-x210674-fig3.jpg

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