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4-[4-(二乙氨基)-苯基]-N-甲基-3-硝基-4H-色烯-2-胺

4-[4-(Diethyl-amino)-phen-yl]-N-methyl-3-nitro-4H-chromen-2-amine.

作者信息

Muthukumaran J, Parthiban A, Manivel P, Rao H Surya Prakash, Krishna R

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1395-6. doi: 10.1107/S1600536811017338. Epub 2011 May 14.

DOI:10.1107/S1600536811017338
PMID:21754782
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120544/
Abstract

In the title compound, C(20)H(23)N(3)O(3), the dihydro-pyran ring adopts half-chair conformation. The chromene system makes a dihedral angle of 87.35 (5)° with the adjacent benzene ring. An intra-molecular N-H⋯O hydrogen bond generates an S(6) motif, which stabilizes the mol-ecular conformation. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds contribute to the stabilization of the packing.

摘要

在标题化合物C₂₀H₂₃N₃O₃中，二氢吡喃环呈半椅式构象。色烯体系与相邻苯环形成的二面角为87.35 (5)°。分子内N—H⋯O氢键形成一个S(6)基序，稳定了分子构象。在晶体中，弱的分子间C—H⋯O氢键有助于堆积结构的稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6f9/3120544/3064881fd8e3/e-67-o1395-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6f9/3120544/402652ddde18/e-67-o1395-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6f9/3120544/9668bdbf46a0/e-67-o1395-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6f9/3120544/3064881fd8e3/e-67-o1395-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6f9/3120544/402652ddde18/e-67-o1395-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6f9/3120544/9668bdbf46a0/e-67-o1395-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6f9/3120544/3064881fd8e3/e-67-o1395-fig3.jpg

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