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Bis{4-[(E)-2-(1H-indol-3-yl)ethen-yl]-1-methyl-pyridinium} 4-chloro-benzene-sulfonate nitrate.

ABSTRACT: In the title mixed salt, 2C16H15N2 (+)·C6H4ClO3S(-)·NO3 (-), one of the cations shows whole mol-ecule disorder over two sets of sites in a 0.711?(7):0.289?(7) ratio. The 4-chorobenzenesulfon-ate anion is also disordered over two orientations in a 0.503?(6):0.497?(6) ratio. The cations are close to planar, the dihedral angles between the pyridinium and indole rings being 1.48?(3)° in the ordered cation, and 5.62?(3) and 2.45?(3)°, respectively, for the major and minor components of the disordered cation. In the crystal, the cations are stacked in an anti-parallel manner approximately along the a-axis direction and linked with the anions via N-H?O hydrogen bonds and C-H?O inter-actions, generating a three-dimensional network. Weak C-H?? and ?-? inter-actions [with centroid-centroid distances of 3.561?(2)-3.969?(7)?Å] are also observed.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3885032 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

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Bis{4-[(E)-2-(1H-indol-3-yl)ethen-yl]-1-methyl-pyridinium} 4-chloro-benzene-sulfonate nitrate.

Fun Hoong-Kun HK Quah Ching Kheng CK Boonnak Nawong N Chantrapromma Suchada S

Acta crystallographica. Section E, Structure reports online 20131109 Pt 12

In the title mixed salt, 2C16H15N2 (+)·C6H4ClO3S(-)·NO3 (-), one of the cations shows whole mol-ecule disorder over two sets of sites in a 0.711 (7):0.289 (7) ratio. The 4-chorobenzenesulfon-ate anion is also disordered over two orientations in a 0.503 (6):0.497 (6) ratio. The cations are close to planar, the dihedral angles between the pyridinium and indole rings being 1.48 (3)° in the ordered cation, and 5.62 (3) and 2.45 (3)°, respectively, for the major and minor components of the disordered ...[more]

PMID: 24454207

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