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2,4-双(4-氟苯基)-2,3-二氢-1H-1,5-苯并二氮杂䓬

2,4-Bis(4-fluoro-phen-yl)-2,3-dihydro-1H-1,5-benzodiazepine.

作者信息

Baktır Zeliha, Akkurt Mehmet, Samshuddin S, Narayana B, Yathirajan H S

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1262-3. doi: 10.1107/S1600536811015455. Epub 2011 Apr 29.

DOI:10.1107/S1600536811015455
PMID:21754550
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089231/
Abstract

In the title compound, C(21)H(16)F(2)N(2), the seven-membered 1,4-diazepine ring of the benzodiazepine ring system adopts a distorted-boat conformation. The benzene ring of this system makes dihedral angles of 18.6 (2) and 78.8 (2)° with those of two fluoro-phenyl substituents. In the crystal, inversion dimers linked by two weak C-H⋯F hydrogen bonds generate R(2) (2)(20) ring motifs. There are also weak N-H⋯π and C-H⋯π inter-actions.

摘要

在标题化合物C₂₁H₁₆F₂N₂中，苯并二氮杂䓬环系的七元1,4 - 二氮杂䓬环呈扭曲船式构象。该环系的苯环与两个氟苯取代基的苯环形成的二面角分别为18.6 (2)°和78.8 (2)°。在晶体中，通过两个弱C - H⋯F氢键连接的反演二聚体形成了R₂²(20)环 motif。此外，还存在弱的N - H⋯π和C - H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d06a/3089231/73d130d61d92/e-67-o1262-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d06a/3089231/0f9a8f729747/e-67-o1262-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d06a/3089231/73d130d61d92/e-67-o1262-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d06a/3089231/0f9a8f729747/e-67-o1262-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d06a/3089231/73d130d61d92/e-67-o1262-fig2.jpg

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