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(5E)-1-苄基-5-(3,3,3-三氯-2-氧代丙叉基)吡咯烷-2-酮

(5E)-1-Benzyl-5-(3,3,3-tri-chloro-2-oxo-propyl-idene)pyrrolidin-2-one.

作者信息

Fabiani Claro Flores Alex, Correia Flores Darlene, Rosa de Menezes Vicenti Juliano, Pizzuti Lucas, Teixeira Campos Patrick

机构信息

Escola de Química e Alimentos, Universidade Federal do Rio Grande, Av. Itália, km 08, Campus Carreiros, 96203-900, Rio Grande, RS, Brazil.

Universidade Federal da Grande Dourados, UFGD, CEP 79825-070, Dourados, MS, Brazil.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 May 3;70(Pt 6):o629-30. doi: 10.1107/S160053681400751X. eCollection 2014 Jun 1.

DOI:10.1107/S160053681400751X
PMID:24940220
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4051069/
Abstract

In the crystal structure of the title compound, C14H12Cl3NO2, no classical hydrogen-bonding inter-actions are observed. The methyl-ene fragments of the benzyl groups participate in non-classic hydrogen-bond inter-actions with the carbonyl O atoms of neighboring mol-ecules, generating co-operative centrosymmetric dimers with R 5 (5)(10) ring motifs. The overall mol-ecular arrangement in the unit cell seems to be highly influenced by secondary non-covalent weak C-Cl⋯π [Cl⋯Cg(phenyl ring) = 3.732 (2) Å] and C-O⋯π [O⋯Cg(pyrrolidine ring) = 2.985 (2) Å] contacts.

摘要

在标题化合物C₁₄H₁₂Cl₃NO₂的晶体结构中,未观察到经典的氢键相互作用。苄基的亚甲基片段与相邻分子的羰基O原子参与非经典氢键相互作用,形成具有R⁵(5)(10)环基序的协同中心对称二聚体。晶胞中的整体分子排列似乎受到二级非共价弱C-Cl⋯π [Cl⋯Cg(苯环)= 3.732 (2) Å] 和C-O⋯π [O⋯Cg(吡咯烷环)= 2.985 (2) Å] 接触的高度影响。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8571/4051069/f57dc92fbd48/e-70-0o629-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8571/4051069/05075776a4f8/e-70-0o629-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8571/4051069/217f25b922ae/e-70-0o629-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8571/4051069/f57dc92fbd48/e-70-0o629-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8571/4051069/05075776a4f8/e-70-0o629-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8571/4051069/217f25b922ae/e-70-0o629-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8571/4051069/f57dc92fbd48/e-70-0o629-fig3.jpg

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