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1-壬基-1H-苯并咪唑-2(3H)-酮

1-Nonyl-1H-benzimidazol-2(3H)-one.

作者信息

Ouzidan Younes, Kandri Rodi Youssef, Butcher Raymond J, Essassi El Mokhtar, El Ammari Lahcen

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 8;67(Pt 2):o283. doi: 10.1107/S1600536810054164.

DOI:10.1107/S1600536810054164
PMID:21522975
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3051596/
Abstract

The crystal structure of the title compound, C(16)H(24)N(2)O, is built up from two fused six- and five-membered rings linked to C(9)H(19) chains. The fused-ring system is essentially planar, the largest deviation from the mean plane being 0.009 (2) Å. The chain is nearly perpendicular to this plane [dihedral angle = 80.27 (17)°]. In the crystal, inter-molecular N-H⋯O hydrogen bonds form dimers with an R(2) (2)(8) graph-set motif. These dimers are further connected through C-H⋯O hydrogen bonds, building sheets parallel to (100).

摘要

标题化合物C(16)H(24)N(2)O的晶体结构由两个稠合的六元环和五元环与C(9)H(19)链相连构成。稠环体系基本呈平面状,与平均平面的最大偏差为0.009 (2) Å。链几乎垂直于该平面[二面角 = 80.27 (17)°]。在晶体中,分子间N—H⋯O氢键形成具有R(2) (2)(8)图形集 motif的二聚体。这些二聚体通过C—H⋯O氢键进一步连接,形成平行于(100)的片层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6386/3051596/26e4c45e408f/e-67-0o283-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6386/3051596/26e4c45e408f/e-67-0o283-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6386/3051596/26e4c45e408f/e-67-0o283-fig1.jpg

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