1-(3-Chlorobenzoyl)-3-phenylthiourea

Abstract

Key indicatorsSingle-crystal X-ray study T = 173 K Mean (C-C) = 0.002 Å R factor = 0.037 wR factor = 0.102 Data-to-parameter ratio = 14.3For details of how these key indicators were automatically derived from the article, see

1-(2,6-Dichlorobenzoyl)-3-(2-methoxyphenyl)thiourea

“…A view of compound (I), is shown in Fig 1. The N-C bonds differ significantly from one another but are short in comparison with the typical value for an N-C single bond (1.479 A°), and the C1-S1 bond is slightly shorter than a C-S double bond (1.681 A°), indicating partial electron delocalization in the N-C(S)-N(H)-C(O) structural segment. These distances are similar to those usually found in other substituted thioureas [Khawar Rauf et al, 2006a, 2006b, 2006c, 2007 Cambridge Structural Database, Version 5.28 (Allen, 2002)]. The dihedral angle between the aromatic rings is 37.49 (6)°, and the corresponding angles with the thiourea plane are 81.41 (7)° for the C11-C16 ring and 44.12 (7)° for the C21-C26 ring.…”

1-(2,6-Dichlorobenzoyl)-3-(3-nitrophenyl)thiourea dimethylformamide solvate

“…Owing to the introduction of the C=O electron-acceptor group the adjacent C-S bond length [1.652 (2)Å ] is shorter than previously reported C=S distances (1.710 (7)Å) (Bailey, et al, 1997). These distances are similar to those usually found in other substituted thioureas (Khawar Rauf et al, 2006a, 2006b, 2006c, 2007, 2009. The dihedral angle between the aromatic rings is 32.93 (12)°, and the corresponding angles with the thiourea plane are 83.52 (7)° for the C2-C7 ring and 50.61 (7)° for the C9-C14 ring.The thiocarbonyl and carbonyl groups are almost coplanar.…”

“…For general background to the use of thiourea and urea derivatives in the development of agrochemicals and pharmacological agents, see: Darlington et al (1996); Dowding & Leeds (1971); Sasse et al (1969). For bond lengths in other other substituted thioureas, see: Khawar Rauf et al (2006aRauf et al ( ,b,c, 2007Rauf et al ( , 2009. For previously reported C S distances, see: Bailey et al (1997).…”

1-Benzoyl-3-[3-(trifluoromethyl)phenyl]thiourea

“…The C1-N1, C8-N1, C8-N2 and C9-N2 bond lengths indicate the partial double-bond character typical for this type of compound. Compared to the unsubstituted (Yamin & Yusof, 2003) or the m-chloro-substituted (Khawar Rauf et al, 2006) N-benzoyl-N 0 -phenylthioureas, the trifluoromethyl substitution at C3 does not result in any significant effect on these bond lengths. The dihedral angle formed by the aromatic rings C1-C6 and C10-C15 is 7.1 (1) , and the corresponding angles with respect to the thiourea plane (N1/C8/S1/N2/C9/O1) are 10.6 (1) for the C1-C6 ring and 17.3 (1) for the C10-C15 ring.…”