Universität zu Köln

Hermann, Daniela, Schwartz, Heidi A. and Ruschewitz, Uwe ORCID: 0000-0002-6511-6894 (2017). Crystal Structures of Z and E ortho-Tetrafluoroazobenzene. ChemistrySelect, 2 (35). S. 11846 - 11853. WEINHEIM: WILEY-V C H VERLAG GMBH. ISSN 2365-6549

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Abstract

The crystal structures of Z- (Pna2(1), Z=4; single-crystal X-ray diffraction data) and E-ortho-tetrafluoroazobenzene (Pna2(1), Z=4; synchrotron powder diffraction data) were solved and refined. These structural analyses reveal that the phenyl rings are almost coplanar in the E isomer, whereas a tilting by 67.8(5)degrees was found in the Z isomer. This leads to significantly different molecular shapes (longest elongations 13.2 angstrom x 8.1 angstrom x 4.0 angstrom for the E isomer vs. 9.6 angstrom x 7.0 angstrom x 6.9 angstrom for the Z isomer). A comparison of the supramolecular structures of Z- and E-ortho-tetrafluoroazobenzene with other known fluorinated azobenzenes shows that mainly (HF)-F-center dot center dot center dot interactions occur in both isomers of ortho-tetrafluoroazobenzene, whereas (HF)-F-center dot center dot center dot and (FF)-F-center dot center dot center dot interactions exist in E-4H,4H'-octafluoroazobenzene, only (FF)-F-center dot center dot center dot interactions in E-perfluoroazobenzene, and (NC)-C-center dot center dot center dot, (FC)-C-center dot center dot center dot as well as (FF)-F-center dot center dot center dot interactions in Z-perfluoroazobenzene.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Hermann, Daniela UNSPECIFIED UNSPECIFIED UNSPECIFIED Schwartz, Heidi A. UNSPECIFIED UNSPECIFIED UNSPECIFIED Ruschewitz, Uwe UNSPECIFIED orcid.org/0000-0002-6511-6894 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-208000
DOI:	10.1002/slct.201702185
Journal or Publication Title:	ChemistrySelect
Volume:	2
Number:	35
Page Range:	S. 11846 - 11853
Date:	2017
Publisher:	WILEY-V C H VERLAG GMBH
Place of Publication:	WEINHEIM
ISSN:	2365-6549
Language:	English
Faculty:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Chemistry > Institute of Inorganic Chemistry
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language METAL-ORGANIC FRAMEWORKS; HALOGEN-BOND; AZOBENZENES; FLUOROAZOBENZENES Multiple languages Chemistry, Multidisciplinary Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/20800