☆ 4.3 Article

Quantitative crystal structure analysis of fluorinated porphyrins

JOURNAL OF FLUORINE CHEMISTRY (2014)

期刊

JOURNAL OF FLUORINE CHEMISTRY

卷 163, 期 -, 页码 16-22

出版社

ELSEVIER SCIENCE SA

DOI: 10.1016/j.jfluchem.2014.04.002

关键词

Supramolecular chemistry; Metalloporphyrins; Crystal structure analysis; Intermolecular interactions; Hirshfeld surface analysis

类别

Chemistry, Inorganic & Nuclear Chemistry, Organic

资金

DST, New Delhi [SR/WOS-A/CS-146/2011, SR/FT/CS-25/2011, SB/EMEQ-016/2013]

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摘要

Herein, we report a series of fluorinated porphyrins, 5,10,15,20-tetrakis(2',6'-difluorophenyl)porphyrin, MT(2',6'-DFP)P where M = 2H, 1; Co(II).(MeOH)(2), 2; Cu(II), 3; Zn(II)center dot(MeoH)(2), 4 and Zn(II)center dot(THF)(3), 5 have been structurally characterized by single crystal X-ray diffraction analysis. All the compounds are crystallized in monoclinic crystal system and the crystal structures of 2, 4 and 5 features octahedral geometry whereas 3 exhibits square planar geometry. The compounds 1, 3 and 2, 4 are isostructural, show similar molecular crystal packing and comparable intermolecular interactions. The supramolecular self assembly of compounds 1-5 is dominated by a variety of intermolecular interactions such as C-H center dot center dot center dot F, C-H center dot center dot center dot pi, C-F center dot center dot center dot pi and F center dot center dot center dot F. Furthermore, the role of weak intermolecular interactions in the crystal packing has been analysed and quantified using Hirshfeld surface analysis. (C) 2014 Elsevier B.V. All rights reserved.

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