1-(2-Bromo-5-methoxybenzoyl)thiosemicarbazide

Abstract

Key indicators: single-crystal X-ray study; T = 173 K; mean (C-C) = 0.004 Å; R factor = 0.030; wR factor = 0.071; data-to-parameter ratio = 13.9.The geometric parameters of the title molecule, C 9 H 10 BrN 3 O 2 S, are in the usual ranges. The mean plane of the thiourea group is almost parallel to the plane of the benzene ring [dihedral angle = 8.40 (12) ]. Only the torsion angles about the C carbonyl -C aromatic bond and the N-N bond differ significantly from 0 or 180 . The crystal packing is stabilized by N-HÁ Á ÁO and N-HÁ Á ÁS hydrogen bonds. organic compounds o3844 # 2007 International Union of Crystallography

Synthesis, spectroscopic studies and crystal structure of (E)-2-(2,4-dihydroxybenzylidene)thiosemicarbazone and (E)-2-[(1H-indol-3-yl)methylene]thiosemicarbazone

“…The ligands feature more than two covalent sites, the number of which depends on the aldehyde and on the tautomeric equilibrium of the thiosemicarbazone, although the most common way to coordinate is through the thiolate form [7]. Thiosemicarbazones are an important group of multidentate ligands with potential binding sites available for a wide variety of metal ions [8][9][10]. Tautomerism in Schiff bases with OH group in ortho position to the imino group both in solution and in solid state were investigated using spectroscopy and X-ray crystallography techniques [11][12][13][14][15][16][17][18][19].…”

(1Z)-1-(4-Methoxyphenyl)ethan-1-one thiosemicarbazone

“…For related literature, see: Castro et al (2003); Chattopadhyay et al (1988); Dinçer et al (2005); Kearney et al (1998); Nie et al (2004); Onderwater et al (2004); Ren et al (2000); Rodriguez-Fernandez et al (2005); Sarojini et al (2007); Stankovic & Vukovic (1996); Trochimczuk & Kolarz (2000); Yathirajan et al (2006); Zhou et al (2003).…”

“…where it has been used as a building block for anion receptors (Nie et al, 2004). The crystal structures of 1-(2-bromo-5methoxybenzoyl)thiosemicarbazide, (Sarojini et al, 2007), salicylaldehyde thiosemicarbazone (Chattopadhyay et al, 1988), 4-(methylsulfanyl)benzaldehyde thiosemicarbazone (Yathirajan et al, 2006) and benzoin thiosemicarbazone (Dinçer et al, 2005) A new carbothioamide, (I), C 10 H 13 N 3 OS, has been synthesized and its crystal structure is reported.…”