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2-氨基-5,6,7,8-四氢-7,7-二甲基-4-(萘-2-基)-5-氧代-4-色烯-3-甲腈的晶体结构

Crystal structure of 2-amino-5,6,7,8-tetra-hydro-7,7-dimethyl-4-(naphthalen-2-yl)-5-oxo-4-chromene-3-carbo-nitrile.

作者信息

Hebishy Ali M S, Elgemeie Galal H, Ali Rasha A E, Jones Peter G

机构信息

Chemistry Department, Faculty of Science, Helwan University, Cairo, Egypt.

Institut für Anorganische und Analytische Chemie, Technische Universität Braunschweig, Hagenring 30, D-38106 Braunschweig, Germany.

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 May 20;78(Pt 6):638-641. doi: 10.1107/S2056989022005199. eCollection 2022 Jun 1.

DOI:10.1107/S2056989022005199
PMID:36072138
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9431781/
Abstract

In the title compound, CHNO, both six-membered rings of the fused heterocyclic system display envelope conformations; the two carbon atoms bearing the methyl groups and the naphthyl substituent both lie outside the planes of the other atoms of each ring. In the crystal, the amino group forms hydrogen bonds of the types N-H⋯O=C and N-H⋯N≡C, leading to the formation of a double layer structure propagating parallel to the plane. Weak C-H⋯O and C-H⋯π inter-actions may reinforce the layers.

摘要

在标题化合物CHNO中,稠合杂环体系的两个六元环均呈信封式构象;带有甲基和萘基取代基的两个碳原子均位于每个环中其他原子平面之外。在晶体中,氨基形成N-H⋯O=C和N-H⋯N≡C类型的氢键,导致形成平行于平面传播的双层结构。弱的C-H⋯O和C-H⋯π相互作用可能会加强这些层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ad8/9431781/88050d78a325/e-78-00638-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ad8/9431781/b2f02f30e0de/e-78-00638-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ad8/9431781/7af48e928398/e-78-00638-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ad8/9431781/88050d78a325/e-78-00638-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ad8/9431781/b2f02f30e0de/e-78-00638-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ad8/9431781/7af48e928398/e-78-00638-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ad8/9431781/88050d78a325/e-78-00638-fig3.jpg

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