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4,4',6,6'-四叔丁基-2,2'-[1,3-二氮杂环己烷-1,3-二亚基双(亚甲基)]二苯酚0.25水合物

4,4',6,6'-Tetra-tert-butyl-2,2'-[1,3-diazinane-1,3-diylbis(methyl-ene)]diphenol 0.25-hydrate.

作者信息

Zhang Manman, Li Li, Yuan Fugen, Qian Hui

机构信息

School of Chemistry and Biochemistry, University of Science and Technology of Suzhou 215009, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2123. doi: 10.1107/S1600536812026505. Epub 2012 Jun 16.

DOI:10.1107/S1600536812026505
PMID:22798799
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393934/
Abstract

The title compound, C(34)H(54)N(2)O(2)·0.25H(2)O, the organic mol-ecule, a potential tetra-dentate ligand with a bulky phenolic donor, has overall mirror symmetry. A partially occupied water mol-ecule of solvation is present in the lattice. The six-membered 1,3-diazinane ring displays a chair conformation. An intra-molecular O-H⋯N hydrogen bond ocurs. In the crystal, mol-ecules are linked by O-H⋯O inter-actions.

摘要

标题化合物C(34)H(54)N(2)O(2)·0.25H(2)O，即有机分子，是一种带有庞大酚类供体的潜在四齿配体，具有整体镜像对称性。晶格中存在一个部分占据的溶剂化水分子。六元1,3 - 二氮杂环己烷环呈椅式构象。存在分子内O - H⋯N氢键。在晶体中，分子通过O - H⋯O相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a410/3393934/1e502c85a485/e-68-o2123-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a410/3393934/2a563101e2bd/e-68-o2123-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a410/3393934/1e502c85a485/e-68-o2123-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a410/3393934/2a563101e2bd/e-68-o2123-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a410/3393934/1e502c85a485/e-68-o2123-fig2.jpg

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