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Crystal and molecular structures of N2-dimethylthiosalicylohydrazide, (C6H4)CSNHOHN(CH3)2

Published/Copyright: August 25, 2010

Abstract

Crystals of N2-dimethylthiosalicylohydrazide are monoclinic, with space group P21 and cell parameters a = 10.667(2), b = 9.155(2), c = 10.378(2) Å, β = 92.46(1)°, Z = 4 (two molecules in the asymmetric unit), Dc = 1.286 g cm−3. The crystal structure has been solved by Direct methods and Fourier syntheses. The least-squares refinement led to a final R value of 0.055 with 1792 observed reflections.

The ligand may exist in (i) thiolo or in (ii) thiono form. IR spectrum of the ligand did not exhibit ν(SH) at ca. 2600 cm−1. So it is assumed that the configuration (ii) is the preferred one. Structure analysis of the ligand has further supported this. There exists intramolecular hydrogen bonding between nitrogen in position 1 and oxygen, but no intermolecular hydrogen bonding is observed.

Published Online: 2010-8-25
Published in Print: 1986-1-1

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