[3-({(E)-2-[(4-Fluorophenyl)carbamothioyl]hydrazinylidene}methyl) -4-hydroxybenzyl]methyltriphenylphosphonium chloride

Tan, Kong Wai and Tiekink, E.R.T. and Sinniah, S.K. and Ng, S.W. and Sim, K.S. (2011) [3-({(E)-2-[(4-Fluorophenyl)carbamothioyl]hydrazinylidene}methyl) -4-hydroxybenzyl]methyltriphenylphosphonium chloride. Acta Crystallographica Section E: Structure Reports Online, 67 (12). o3330-o3331. ISSN 1600-5368, DOI https://doi.org/10.1107/S1600536811047945.

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Abstract

The cation in the title salt, C 33H 28FN 3OPS +·Cl -, is highly twisted with the phospho-nium group occupying a position almost normal to the central hydroxyl-benzene ring [P - C - C - C tosrsion angle = -100.9 (3)°], and with the hydrazone substituent twisted out of the plane [C - C - C - N torsion angle = 13.1 (4)°]. The fluoro-benzene ring is twisted out of the plane of the adjacent thio-urea residue, forming a dihedral angle of 51.69 (10)°. The configuration about the C=N bond [1.281 (4) Å] is E, the O - H and N - H hydrogen atoms are syn, and in the thio-urea residue, the N - H hydrogen atoms are anti, allowing for the formation of an intramolecular N - H⋯N hydrogen bond. In the crystal, dimeric aggregates mediated by N - H⋯S bonds are formed, which are linked to the Cl - anions by O-H⋯Cl hydrogen bonds. The four-component aggregates are linked into a three-dimensional structure by C - H⋯Cl interactions.

Item Type:	Article
Funders:	UNSPECIFIED
Additional Information:	Department of Chemistry, Faculty of Science Building, University of Malaya, 50603 Kuala Lumpur, MALAYSIA
Uncontrolled Keywords:	data-to-parameter ratio = 16.2 mean σ(C-C) = 0.005 Å R factor = 0.054 single-crystal X-ray study T = 100 K wR factor = 0.154
Subjects:	Q Science > QD Chemistry
Divisions:	Faculty of Science > Department of Chemistry
Depositing User:	Miss Malisa Diana
Date Deposited:	03 Jul 2013 08:58
Last Modified:	31 Jan 2019 05:28
URI:	http://eprints.um.edu.my/id/eprint/8037

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