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1-[4-溴-2-(三氟甲氧基)苯基]-3-甲基-1H-1,2,4-三唑

1-[4-Bromo-2-(tri-fluoro-meth-oxy)phen-yl]-3-methyl-1H-1,2,4-triazole.

作者信息

Sandeep C, Padmashali Basavaraj, Suchetan P A, Kulkarni Rashmi S

机构信息

Department of Chemistry, Sahyadri Science College (Autonomous), Shimoga 577 203, Karnataka, India.

Department of Chemistry, Sahyadri Science College (Autonomous), Shimoga 577 203, Karnataka, India ; Department of Studies and Research in Chemistry, School of Basic Sciences, Rani Channamma University, Belagavi 591 156, Karnataka, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 May 10;70(Pt 6):o654. doi: 10.1107/S1600536814010083. eCollection 2014 Jun 1.

DOI:10.1107/S1600536814010083
PMID:24940238
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4051032/
Abstract

In the title compound, C10H7BrF3N3O, the dihedral angle between the benzene and triazole rings is 23.17 (12)° and the C atom of the -CF3 group deviates from its attached ring plane by 1.147 (3) Å. In the crystal, mol-ecules are linked by C-H⋯N inter-actions, generating C(7) chains running along [010].

摘要

在标题化合物C₁₀H₇BrF₃N₃O中，苯环和三唑环之间的二面角为23.17 (12)°，-CF₃基团的C原子偏离其相连的环平面1.147 (3) Å。在晶体中，分子通过C-H⋯N相互作用相连，形成沿[010]方向延伸的C(7)链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6aa3/4051032/1e85ce5111cb/e-70-0o654-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6aa3/4051032/e31fbf65b11a/e-70-0o654-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6aa3/4051032/1e85ce5111cb/e-70-0o654-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6aa3/4051032/e31fbf65b11a/e-70-0o654-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6aa3/4051032/1e85ce5111cb/e-70-0o654-fig2.jpg

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