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6-(4-氯苯基)-2,4-二甲基-1,3-二氧代-1,2,3,4,6,6a,7,12b-八氢-色烯并[4',3':4,5]吡喃并[2,3-d]嘧啶-6a-羧酸甲酯

Methyl 6-(4-chloro-phen-yl)-2,4-dimethyl-1,3-dioxo-1,2,3,4,6,6a,7,12b-octa-hydro-chromeno[4',3':4,5]pyrano[2,3-d]pyrimidine-6a-carboxyl-ate.

作者信息

Kanchanadevi J, Anbalagan G, Sivakumar G, Bakthadoss M, Manivannan V

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o1990. doi: 10.1107/S160053681102678X. Epub 2011 Jul 9.

DOI:10.1107/S160053681102678X
PMID:22091025
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3213446/
Abstract

In the title compound, C(24)H(21)ClN(2)O(6), the two fused six-membered pyran rings adopt half-chair conformations. The dihedral angle between the pyrimidine ring and the chloro-phenyl ring is 51.55 (3)°. In the crystal, mol-ecules are linked by pairs of weak inter-molecular C-H⋯O hydrogen bonds, forming inversion dimers. A C-H⋯π inter-action is also observed.

摘要

在标题化合物C(24)H(21)ClN(2)O(6)中，两个稠合的六元吡喃环呈半椅式构象。嘧啶环与氯苯环之间的二面角为51.55 (3)°。在晶体中，分子通过成对的弱分子间C-H⋯O氢键相连，形成反演二聚体。还观察到一个C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d352/3213446/f1cbbe8bdeff/e-67-o1990-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d352/3213446/8813c4784f5f/e-67-o1990-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d352/3213446/f1cbbe8bdeff/e-67-o1990-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d352/3213446/8813c4784f5f/e-67-o1990-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d352/3213446/f1cbbe8bdeff/e-67-o1990-fig2.jpg

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