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1-[(4-{[(2-氧代-1,2-二氢萘-1-亚基)甲基]氨基}-苯胺基)亚甲基]萘-2(1H)-酮二水合物

1-[(4-{[(2-Oxo-1,2-dihydro-naphthalen-1-yl-idene)meth-yl]amino}-anilino)methyl-idene]naphthalen-2(1H)-one dihydrate.

作者信息

Blagus Anita, Kaitner Branko

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o2958-9. doi: 10.1107/S1600536811041870. Epub 2011 Oct 12.

DOI:10.1107/S1600536811041870
PMID:22219984
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3247366/
Abstract

The title compound, C(28)H(20)N(2)O(2)·2H(2)O, comprises a Schiff base mol-ecule with an imposed inversion centre in the middle of p-phenyl-enediamine unit and water mol-ecules of crystallization. In the structure, the Schiff base mol-ecule is present as the keto-amino tautomer with a strong intra-molecular N-H⋯O hydrogen bond. The Schiff base mol-ecules and water mol-ecules of crystallization create infinite [010] columns through O-H⋯O hydrogen bonds. Inter-molecular attractions within columns are through additional π-π inter-actions [centroid-centroid distance = 3.352 (1) Å] between parallel Schiff base mol-ecules. The columns are joined into infinite (011) layers through weak C-H⋯O hydrogen bonds. The layers pack in an assembly by van der Waals attractions, only being effective between bordering non-polar naphthalene ring systems.

摘要

标题化合物C(28)H(20)N(2)O(2)·2H(2)O由一个在对苯二胺单元中间具有一个强加反演中心的席夫碱分子和结晶水分子组成。在该结构中，席夫碱分子以酮胺互变异构体形式存在，具有一个强的分子内N-H⋯O氢键。席夫碱分子和结晶水分子通过O-H⋯O氢键形成无限的[010]柱。柱内分子间吸引力是通过平行席夫碱分子之间额外的π-π相互作用[质心-质心距离 = 3.352 (1) Å]。这些柱通过弱的C-H⋯O氢键连接成无限的(011)层。这些层通过范德华吸引力堆积成一个聚集体，仅在相邻的非极性萘环系统之间有效。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea31/3247366/993c903c9845/e-67-o2958-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea31/3247366/48e2e3de1f4c/e-67-o2958-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea31/3247366/688acb9e67df/e-67-o2958-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea31/3247366/22d105ef6282/e-67-o2958-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea31/3247366/993c903c9845/e-67-o2958-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea31/3247366/48e2e3de1f4c/e-67-o2958-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea31/3247366/688acb9e67df/e-67-o2958-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea31/3247366/22d105ef6282/e-67-o2958-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea31/3247366/993c903c9845/e-67-o2958-fig4.jpg

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