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1-{(1Z)-1-[6-(4-Chloro-phen-oxy)hex-y-l-oxy]-1-(2,4-difluoro-phen-yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate. | LitMetric

1-{(1Z)-1-[6-(4-Chloro-phen-oxy)hex-y-l-oxy]-1-(2,4-difluoro-phen-yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate.

Acta Crystallogr Sect E Struct Rep Online

Jiangsu Engineering Technology Research Center of Polypeptide Pharmaceutical, College of Life Science and Pharmaceutical Engineering, Nanjing University of Technology, Xinmofan Road No. 5 Nanjing, Nanjing 210009, People's Republic of China.

Published: October 2011

AI Article Synopsis

  • The title compound has a complex structure with a triazole ring that forms specific angles with two different phenyl rings (60.9° and 25.0°).
  • The molecule has a Z configuration around its double bond, indicating a specific geometric arrangement.
  • In the crystal structure, the positive and negative ions are held together by hydrogen bonds and weaker interactions between carbons and oxygens.

Article Abstract

In the title compound, C(23)H(25)ClF(2)N(3)O(2) (+)·NO(3) (-), the triazole ring makes dihedral angles of 60.9 (4) and 25.0 (3)° with the 6-chloro-phenyl and 2,4-difluoro-phenyl rings, respectively. The mol-ecule adopts a Z configuration about the C=C double bond. In the crystal, the cations and anions are linked by N-H⋯O hydrogen bonds and weak C-H⋯O inter-actions.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201488PMC
http://dx.doi.org/10.1107/S1600536811034933DOI Listing

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