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2-(叔丁氧羰基氨基)-6-(1,3-二氧代-1H-2,3-二氢苯并[de]异喹啉-2-基)己酸

2-(tert-Butoxy-carbonyl-amino)-6-(1,3-dioxo-1H-2,3-dihydro-benzo[de]isoquinolin-2-yl)hexa-noic acid.

作者信息

Fun Hoong-Kun, Goh Jia Hao, Qiu Zhenjun, Zhang Yan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 28;66(Pt 5):o1198-9. doi: 10.1107/S1600536810014935.

DOI:10.1107/S1600536810014935
PMID:21579232
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2979163/
Abstract

In the title naphthalimide derivative, C(23)H(26)N(2)O(6), the 1,8-naphthalimide system is essentially planar [maximum deviation = 0.0456 (16) Å]. A characteristic pattern of alternating long and short C-C bond lengths is observed in the 1,8-naphthalimide unit. The mean planes through the methyl carbamate and acetic acid groups form dihedral angles of 42.30 (9) and 61.59 (9)°, respectively, with the 1,8-naphthalimide plane. In the crystal structure, inter-molecular O-H⋯O and C-H⋯O hydrogen bonds link neighbouring mol-ecules, forming R(2) (2)(9) hydrogen-bond ring motifs. These rings are further inter-connected by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds into a three-dimensional supra-molecular network.

摘要

在标题萘二甲酰亚胺衍生物C(23)H(26)N(2)O(6)中,1,8 - 萘二甲酰亚胺体系基本呈平面状[最大偏差 = 0.0456 (16) Å]。在1,8 - 萘二甲酰亚胺单元中观察到交替出现的长、短C - C键长的特征模式。穿过氨基甲酸甲酯和乙酸基团的平均平面与1,8 - 萘二甲酰亚胺平面分别形成42.30 (9)°和61.59 (9)°的二面角。在晶体结构中,分子间的O - H⋯O和C - H⋯O氢键连接相邻分子,形成R(2) (2)(9)氢键环基序。这些环通过分子间的N - H⋯O和C - H⋯O氢键进一步相互连接成三维超分子网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d30/2979163/c90e5219b4d5/e-66-o1198-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d30/2979163/010954b5ab8b/e-66-o1198-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d30/2979163/c90e5219b4d5/e-66-o1198-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d30/2979163/010954b5ab8b/e-66-o1198-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d30/2979163/c90e5219b4d5/e-66-o1198-fig2.jpg

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