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2,6 - 二苯基 - 1 - 对甲苯基 - 4 -(对甲苯基氨基)- 1,2,5,6 - 四氢吡啶 - 3 - 羧酸甲酯

Methyl 2,6-diphenyl-1-p-tolyl-4-(p-tolyl-amino)-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

作者信息

Venugopala K N, Nayak Susanta K, Odhav Bharti

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2392-3. doi: 10.1107/S1600536812030309. Epub 2012 Jul 7.

DOI:10.1107/S1600536812030309
PMID:22904850
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3414317/
Abstract

In the title compound, C(33)H(32)N(2)O(2), the tetra-hydro-pyridine ring adopts a boat conformation with the carbonyl group in an s-cis conformation with respect to the C=C bond of the six-membered tetra-hydro-pyridine ring. The mol-ecular conformation is stabilized by intra-molecular N-H⋯O, C-H⋯O and C-H⋯π inter-actions. Formation of centrosymmetric head-to-head dimers is observed through pairwise inter-molecular N-H⋯O hydrogen bonds. Additional weak C-H⋯O and C-H⋯π inter-actions stabilize the three-dimensional mol-ecular assembly.

摘要

在标题化合物C(33)H(32)N(2)O(2)中,四氢吡啶环呈船式构象,羰基相对于六元四氢吡啶环的C=C键呈s-顺式构象。分子构象通过分子内N-H⋯O、C-H⋯O和C-H⋯π相互作用得以稳定。通过成对的分子间N-H⋯O氢键观察到中心对称的头对头二聚体的形成。额外的弱C-H⋯O和C-H⋯π相互作用稳定了三维分子组装体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f531/3414317/69b7e8a938fc/e-68-o2392-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f531/3414317/e9aadddbd80a/e-68-o2392-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f531/3414317/69b7e8a938fc/e-68-o2392-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f531/3414317/e9aadddbd80a/e-68-o2392-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f531/3414317/69b7e8a938fc/e-68-o2392-fig2.jpg

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