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4-苄基-6-溴-2-(4-甲氧基苯基)-4H-咪唑并[4,5-b]吡啶一水合物

4-Benzyl-6-bromo-2-(4-methoxy-phen-yl)-4H-imidazo[4,5-b]pyridine monohydrate.

作者信息

Ouzidan Y, Kandri Rodi Y, Obbade S, Essassi El Mokhtar, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Mar 27;66(Pt 4):o947. doi: 10.1107/S1600536810010391.

DOI:10.1107/S1600536810010391
PMID:21580751
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983875/
Abstract

The imidazopyridine fused ring in the title compound, C(20)H(16)BrN(3)O·H(2)O, is coplanar with the aromatic ring at the 2-position [dihedral angle = 5.2 (1)°]. In the five-membered imidazo portion, the C-N bond whose C atom is also connected to the pyridine N atom has predominantly double-bond character [1.334 (2) Å] whereas the C-N bond whose atom is connected to the pyridine C atom has predominantly single-bond character [1.371 (2) Å]. The water mol-ecule engages in hydrogen bonding with the latter N atom; it is also connected to a symmetry-related water mol-ecule, generating a linear chain structure.

摘要

标题化合物C(20)H(16)BrN(3)O·H(2)O中的咪唑并吡啶稠环与2位的芳环共面[二面角 = 5.2 (1)°]。在五元咪唑部分，其C原子也与吡啶N原子相连的C-N键主要具有双键特征[1.334 (2) Å]，而其原子与吡啶C原子相连的C-N键主要具有单键特征[1.371 (2) Å]。水分子与后一个N原子形成氢键；它还与一个对称相关的水分子相连，形成线性链结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a612/2983875/cedc73aacd58/e-66-0o947-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a612/2983875/cedc73aacd58/e-66-0o947-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a612/2983875/cedc73aacd58/e-66-0o947-fig1.jpg

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