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(Z)-2-{5-[(2-苄叉基-3-氧代-2,3-二氢苯并[b][1,4]噻嗪-4-基)甲基]-1H-1,2,3-三唑-1-基}乙酸乙酯的晶体结构

Crystal structure of (Z)-ethyl 2-{5-[(2-benzyl-idene-3-oxo-2,3-di-hydro-benzo[b][1,4]thia-zin-4-yl)meth-yl]-1H-1,2,3-triazol-1-yl}acetate.

作者信息

Ellouz M, Sebbar N K, Essassi E M, Ouzidan Y, Mague J T

机构信息

Laboratoire de Chimie Organique Hétérocyclique URAC 21, Pôle de Compétence Pharmacochimie, Av. Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, Morocco.

Laboratoire de Chimie Organique Appliquée, Université Sidi Mohamed Ben Abdallah, Faculté des Sciences et Techniques, Route d'immouzzer, BP 2202, Fez, Morocco.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Dec 6;71(Pt 12):o1022-3. doi: 10.1107/S2056989015022987. eCollection 2015 Dec 1.

Abstract

The title compound, C22H20N4O3S, features two fused six-membered rings linked to a 1,2,3-triazole ring which is attached to an ethyl acetate group. The heterocycle in the benzo-thia-zine residue has an envelope conformation with the S atom being the flap. The conformation of the ethyl acetate side chain, which is directed to the same side of the mol-ecule as the C6 ring of the fused-ring system, may be partially established by a pair of weak intra-molecular C-H⋯O(carbon-yl) inter-actions. The three-dimensional packing is aided by inter-molecular C-H⋯O and C-H⋯N inter-actions.

摘要

标题化合物C22H20N4O3S具有两个稠合的六元环,它们与一个连接到乙酸乙酯基团的1,2,3-三唑环相连。苯并噻嗪残基中的杂环具有信封式构象,硫原子为翼片。乙酸乙酯侧链的构象与稠环系统的C6环指向分子的同一侧,这可能部分是由一对弱的分子内C-H⋯O(羰基)相互作用确定的。分子间的C-H⋯O和C-H⋯N相互作用有助于三维堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3f2e/4719958/777d02564893/e-71-o1022-fig1.jpg

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