S-Benzylthiouronium 4-anilinobenzenesulfonate

Abstract

Key indicators: single-crystal X-ray study; T = 100 K; mean (C-C) = 0.002 Å; R factor = 0.043; wR factor = 0.107; data-to-parameter ratio = 17.3.In the title compound, C 8 H 11 N 2 S + ÁC 12 H 10 NO 3 S À , the NH group of the S-benzylthiuronium is protonated and the interplanar angle between the phenyl ring and the CH 2 -S C(NH 2 ) 2 unit is 47.44 (10) . In the 4-anilinobenzenesulfonate anion, the interplanar angle between the two rings is 44.07 (8) . In the crystal structure, anions are linked into chains along the c-axis direction by N-HÁ Á ÁO hydrogen bonds, while additional N-HÁ Á ÁO interactions link the cations to the anions in chains along the b-axis direction. These chains are further interconnected into a two-dimensional network parallel to the bc plane by C-HÁ Á ÁO interactions. C-HÁ Á Á contacts are also observed. Related literature

(E)-1-(4-Aminophenyl)-3-(naphthalen-2-yl)prop-2-en-1-one

“…This middle bridge makes dihedral angles of 8.05 (19) and 11.47 (18) ° with the benzene and naphthalene rings, respectively. The bond distances are of normal values (Allen et al, 1987) and are comparable with those found in related structures (Fun et al, 2008;Horkaew et al, 2010).…”

“…For bond-length data, see: Allen et al (1987). For related structures, see: Fun et al (2008); Horkaew et al (2010). For background to and applications of chalcones, see: Bandgar & Gawande (2010); Cheng et al (2008); Gaber et al (2008); Nerya et al (2004); Nowakowska et al (2008); Patil et al (2007); Svetlichny et al (2007); Tewtrakul et al (2003); Xu et al (2005).…”

1-(4-Chlorophenyl)-3-(4-ethoxyphenyl)prop-2-en-1-one

“…The ethoxy group is slightly displaced from the plane of the C10-C15 benzene ring, giving a C13-O2-C16-C17 torsion angle of 173.06 (16) . The bond distances and angles in (I) lie within normal ranges (Allen et al, 1987) and are comparable with those in related structures (Patil, Dharmaprakash et al, 2006;Fun et al, 2007).…”

“…Non-linear optical (NLO) properties of organic molecules and materials have been intensively studied in recent years because of their potential applications in electro-optic modulation, frequency mixing and second-harmonic generation (SHG) (Chemla & Zyss, 1987). During our studies on the second-order NLO properties of crystalline chalcone derivatives (Fun et al, 2007;Patil, Dharmaprakash et al, 2006;Shettigar et al, 2006;Patil, Ng et al, 2007;Patil, Rosli et al, 2007), we have prepared the title compound, (I). Compound (I) crystallizes in a non-centrosymmetric space group and exhibits second-order non-linear optical properties.…”

Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors

“…Based on the results of the CSD search, two flavanone-chalcone pairs were added, thus increasing the total number of halogen-substituted compounds. Finally, the number of compounds was expanded to include the following: CH1 (Serdiuk et al, 2018; CSD refcode REPXIW), CH3 (Fun et al, 2011;URESOA), FL4 (Białoń ska et al, 2007;NUYRII01), CH5 (Fun et al, 2007;QEXLAH), FL6 (Cantrell et al, 1974;BRFLAY20), CH6A/B [two different polymorphs; Agilandeshwari et al (2016) (IKOFAR); Salinas-Ortega et al (2017) (IKOFAR01)], FL7 (Goud et al, 1995;YIVREA) and CH7 (Goud et al, 1995; YIVPUO) (Scheme 1). Unfortunately, in the case of flavanone FL8, the corresponding CIF is not present in the CSD.…”