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(E)-2-[4-(Di-ethyl-amino)-styr-yl]-1-methyl-quinolinium 4-fluoro-benzene-sulfonate monohydrate.

ABSTRACT: In the title hydrated molecular salt, C22H25N2 (+)·C6H4FO3S(-)·H2O, the cation displays whole mol-ecule disorder over two sets of sites in a 0.780?(5):0.220?(5) ratio. The quinolinium ring system is essentially planar, with r.m.s. deviations of 0.0162 and 0.0381?Å for the major and minor disorder components, respectively. The dihedral angles between the mean plane of the quinolinium ring system and the benzene ring are 5.1?(3) and 7.7?(11)°, respectively, for the major and minor components in the cation. In the crystal, cations, anions and water mol-ecules are linked into chains along [010] by O-H?O hydrogen bonds and are further connected into a three-dimensional network by weak C-H?O and C-H?F inter-actions. In addition, ?-? inter-actions with centroid-centroid distances of 3.634?(3), 3.702?(5) and 3.838?(5)?Å are observed.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3790381 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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(E)-2-[4-(Di-ethyl-amino)-styr-yl]-1-methyl-quinolinium 4-fluoro-benzene-sulfonate monohydrate.

Fun Hoong-Kun HK Kaewmanee Narissara N Chanawanno Kullapa K Boonnak Nawong N Chantrapromma Suchada S

Acta crystallographica. Section E, Structure reports online 20130907 Pt 10

In the title hydrated molecular salt, C22H25N2 (+)·C6H4FO3S(-)·H2O, the cation displays whole mol-ecule disorder over two sets of sites in a 0.780 (5):0.220 (5) ratio. The quinolinium ring system is essentially planar, with r.m.s. deviations of 0.0162 and 0.0381 Å for the major and minor disorder components, respectively. The dihedral angles between the mean plane of the quinolinium ring system and the benzene ring are 5.1 (3) and 7.7 (11)°, respectively, for the major and minor components in th ...[more]

PMID: 24098203

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