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6-氨基-3,4-二氢-2H-1,4-苯并恶嗪-4-羧酸叔丁酯

tert-Butyl 6-amino-3,4-dihydro-2H-1,4-benzoxazine-4-carboxyl-ate.

作者信息

Gu Xiao-Bo, Jiang Meng-Jun, Cai Gang-Ming, Zhou Yao-Yuan

机构信息

Key Laboratory of Nuclear Medicine, Ministry of Health, Jiangsu Key Laboratory of Molecular Nuclear Medicine, Jiangsu Institute of Nuclear Medicine, Wuxi 214063, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 24;66(Pt 12):o3269. doi: 10.1107/S160053681004777X.

DOI:10.1107/S160053681004777X
PMID:21589552
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3011429/
Abstract

The title mol-ecule, C(13)H(18)N(2)O(3), contains a benzene ring fused to an oxazine ring and one tert-but-oxy-carbonyl group bound to the N atom of the oxazine ring. A weak intra-molecular C-H⋯O inter-action occurs. In the crystal, inter-molecular N-H⋯O and C-H⋯O hydrogen bonds stack the mol-ecules down the b axis. Weak C-H⋯N contacts connect the stacks, generating a three-dimensional network.

摘要

标题分子C(13)H(18)N(2)O(3)包含一个与恶嗪环稠合的苯环以及一个与恶嗪环的N原子相连的叔丁氧羰基。存在弱的分子内C-H⋯O相互作用。在晶体中，分子间的N-H⋯O和C-H⋯O氢键沿b轴堆积分子。弱的C-H⋯N接触连接这些堆积，形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/942f/3011429/710974eb7b3a/e-66-o3269-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/942f/3011429/710974eb7b3a/e-66-o3269-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/942f/3011429/710974eb7b3a/e-66-o3269-fig1.jpg

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J Med Chem. 2008 Mar 27;51(6):1695-705. doi: 10.1021/jm701129j. Epub 2008 Feb 27.
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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.