Chantrapromma Suchada, Chanawanno Kullapa, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 30;65(Pt 5):o1144-5. doi: 10.1107/S1600536809014974.
In the title compound, C(18)H(16)N(+)·C(6)H(4)BrO(3)S(-), the cation exists in the E configuration and the whole mol-ecule of the cation is disordered with a refined site-occupancy ratio of 0.733 (1):0.267 (1). The naphthalene system is not planar, the inter-planar angle between the two aromatic rings being 5.0 (5)° for the major component and 5.7 (10)° for the minor component. The cation is twisted with dihedral angles between the pyridinium ring and the two aromatic rings of the naphthalene system of 56.3 (5) and 51.4 (5)° (for the major component) and 52.2 (11) and 53.4 (11)° (for the minor component). The pyridinium ring and the benzene ring of the anion are inclined to each other at inter-planar angles of 85.0 (4) and 71.5 (9)° for the major and minor components, respectively. In the crystal packing, the cations and anions are alternately arranged with the cations stacked in an anti-parallel manner along the c axis and the anions linked together into chains along the same direction. The cations are linked to the anions into chains along [102] by weak C-H⋯O inter-actions. The crystal structure is further stabilized by C-H⋯π inter-actions and π-π contacts, with Cg⋯Cg distances of 3.502 (9) and 3.698 (6) Å. A short Br⋯O contact [3.029 (4) Å] is also present.
在标题化合物C(18)H(16)N⁺·C(6)H(4)BrO₃S⁻中，阳离子呈E构型，阳离子的整个分子无序，细化的位点占有率比为0.733 (1):0.267 (1)。萘环体系非平面，两个芳香环之间的面间角，主要组分是5.0 (5)°，次要组分是5.7 (10)°。阳离子发生扭曲，吡啶环与萘环体系的两个芳香环之间的二面角，主要组分是56.3 (5)°和51.4 (5)°，次要组分是52.2 (11)°和53.4 (11)°。阴离子的吡啶环和苯环分别以85.0 (4)°和71.5 (9)°的面间角相互倾斜，分别对应主要和次要组分。在晶体堆积中，阳离子和阴离子交替排列，阳离子沿c轴以反平行方式堆积，阴离子沿相同方向连接成链。阳离子通过弱的C—H⋯O相互作用沿[102]与阴离子连接成链。晶体结构通过C—H⋯π相互作用和π-π接触进一步稳定，Cg⋯Cg距离为3.502 (9) Å和3.698 (6) Å。还存在一个短的Br⋯O接触[3.029 (4) Å]。
