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(E)-5-[3-氰基-2-(二氰基亚甲基)-1-氧杂螺[4.5]癸-3-烯-4-基]-3-(1-甲基-1,4-二氢吡啶-4-亚基)戊-4-烯-1-基 3,5-双(苄氧基)苯甲酸酯

(E)-5-[3-Cyano-2-(dicyano-methyl-ene)-1-oxaspiro-[4.5]dec-3-en-4-yl]-3-(1-methyl-1,4-dihydro-pyridin-4-yl-idene)pent-4-en-1-yl 3,5-bis-(benz-yloxy)benzoate.

作者信息

Gainsford Graeme J, Clarke David J, Kay Andrew J

机构信息

Carbohydrate Chemistry Group, Industrial Research Limited, PO Box 31-310, Lower Hutt, New Zealand.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Jan 1;69(Pt 1):o103-4. doi: 10.1107/S1600536812050532. Epub 2012 Dec 19.

DOI:10.1107/S1600536812050532
PMID:23476366
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3588224/
Abstract

In the title compound, C45H40N4O5, the cyclo-hexane entity on the (3-cyano-2,5-dihydro-furan-2-yl-idene)propane-dinitrile group, which replaces the usual dimethyl substituents, has not perturbed the delocalization geometry significantly. Weak inter-molecular inter-actions, viz. C-H⋯N(cyano), C-H⋯O(ether), C-H⋯π and π-π [between the aromatic rings with the shortest centroid-centroid distance of 3.603 (3) Å], consolidate the crystal packing, which exhibits voids of 57 Å(3).

摘要

在标题化合物C₄₅H₄₀N₄O₅中，(3-氰基-2,5-二氢呋喃-2-亚基)丙二腈基团上的环己烷实体取代了常见的二甲基取代基，并未显著扰乱离域几何结构。弱分子间相互作用，即C-H⋯N(氰基)、C-H⋯O(醚)、C-H⋯π和π-π[在芳香环之间，最短质心距离为3.603 (3) Å]，巩固了晶体堆积，其显示出57 ų的空隙。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/34f1/3588224/aff375e88a1f/e-69-0o103-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/34f1/3588224/fde878a406c5/e-69-0o103-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/34f1/3588224/aff375e88a1f/e-69-0o103-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/34f1/3588224/fde878a406c5/e-69-0o103-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/34f1/3588224/aff375e88a1f/e-69-0o103-fig2.jpg

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本文引用的文献

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