Crystal structure of 4,5-dichloro-1,2,3-dithiazolium chloride, [C2NS2Cl2]Cl

Crystal Structure and Solid-State Packing of 4-Chloro-5H-1,2,3-dithiazol-5-one and 4-Chloro-5H-1,2,3-dithiazole-5-thione

“…There are two S…Cl intermolecular interactions 3.4528(8) Å [∠S–S…Cl, 151.01(3)°] and 3.5316(7) Å [∠S–S…Cl, 130.43(3)°] well within the ∑ VDW [3.18 Å (minor), 3.81 Å (major)]. These interactions ( Figure 1 ) are longer than the ionic S…Cl interactions previously reported for Appel’s salt 1 [ 40 ].…”

“…The endocyclic S1–S2 bond lengths are 2.0533(7), 2.066(2), 2.058(4)-2.075(4) Å for 2b , 2c– α and 2c– β , respectively ( Table 1 ) and are longer than the S–S bond length 2.034(2) Å reported for Appel’s salt 1 [ 40 ]. The short S–S bond in Appel’s salt 1 reflects the significant bond and charge delocalization aiming to achieve a greater aromaticity.…”

“…Their intramolecular geometrical parameters are similar to each other (Table 1) and comparable to those reported for 4-benzoyl-5H-1,2,3-dithiazol-5-one (3) [37], 4-[N-(2-chloroethyl)piperazin-1-yl]-5H-1,2,3dithiazole-5-thione (4) [38] and 4-phenyl-5H-1,2,3-dithiazole-5-thione polyiodide S-I + -S complex (5) [39] (Table S2 in Supplementary Information). The endocyclic S1-S2 bond lengths are 2.0533(7), 2.066(2), 2.058(4)-2.075(4) Å for 2b, 2c-α and 2c-β, respectively (Table 1) and are longer than the S-S bond length 2.034(2) Å reported for Appel's salt 1 [40]. The short S-S bond in Appel's salt 1 reflects the significant bond and charge delocalization aiming to achieve a greater aromaticity.…”

Poly[bis(4-chloropyridinium) tetra-μ2-chlorido-tetrachloridotrimercurate(II)]

“…So chloromercurates(II) usually exhibit a wide range of geome-tries, stereometries and connectivities (Grdenic, 1965;Linden et al, 1999). Among these fascinating structures, one-dimensional chloromercurate(II) inorganic chains show a great variety of architectures, and it is impossible to predict their coordination geometry due to the wide range of different HgÁ Á ÁCl contacts (Aharoni et al, 1989;Bats et al, 1980;Rabe & Muller, 1999;Zabel et al, 2005). , Linden et al (1999 reported several chloropyridinium chloromercurate(II) compounds, showing that an [Hg x Cl y ] nÀ polymer was usually made up of the subunits HgCl 2 , Cl À , [HgCl 3 ] À and [HgCl 4 ] 2À .…”

“…Based on these considerations, we have now used 4-chloropyridine with HgCl 2 in order to extend the range of chloromercurate(II) compounds. We expected to obtain a (4-PyH) + HgCl 3 À structure but instead obtained the title compound, (I), which has a novel {[Hg 3 Cl 8 ] 2À } n anionic chain architecture compared with other {[Hg 3 Cl 8 ] 2À } n structures (Terzis et al, 1985;Rabe & Muller, 1999). For example, the {[Hg 3 Cl 8 ] 2À } n anion reported by Terzis et al (1985) is made up of two HgCl 2 subunits and an [HgCl 4 ] 2À anion, while the basic building unit of (I) is connected by three HgCl 2 and Cl À subunits which form a onedimensional {[HgCl 2 ] 2 [Cl À ] 2 [HgCl 2 ]} n chain (Scheme 1 and Fig.…”