{"database":"biostudies-literature","file_versions":[],"scores":{"citationCount":0,"reanalysisCount":0,"viewCount":46,"searchCount":0},"additional":{"omics_type":["Unknown"],"volume":["67(Pt 9)"],"submitter":["Fun HK"],"pubmed_abstract":["In the title hydrated mol-ecular salt, C(18)H(23)N(2) (+)·C(6)H(4)ClO(3)S(-)·H(2)O, which shows moderate biological activity against methicillin-resistant Staphylococcus aureus (MRSA), one ethyl group of the 2-[4-(diethyl-amino)-styr-yl]-1-methyl-pyridinium cation is disordered over two orientations in a 0.604 (13):0.396 (13) ratio. The main part of the cation is nearly planar with a dihedral angle of 4.50 (10)° between the pyridinium and benzene rings. In the crystal, the components are linked by O-H⋯O hydrogen bonds and C-H⋯O weak inter-actions. Aromatic π-π stacking inter-actions with centroid-centroid separations of 3.7363 (12) and 3.7490 (13) Å also occur."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o2488-9"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3200709"],"repository":["biostudies-literature"],"pubmed_title":["(E)-2-[4-(Diethyl-amino)-styr-yl]-1-methyl-pyridinium 4-chloro-benzene-sulfonate monohydrate."],"pmcid":["PMC3200709"],"pubmed_authors":["Chanawanno K","Fun HK","Chantrapromma S","Karalai C","Kaewmanee N"],"view_count":["46"],"additional_accession":[]},"is_claimable":false,"name":"(E)-2-[4-(Diethyl-amino)-styr-yl]-1-methyl-pyridinium 4-chloro-benzene-sulfonate monohydrate.","description":"In the title hydrated mol-ecular salt, C(18)H(23)N(2) (+)·C(6)H(4)ClO(3)S(-)·H(2)O, which shows moderate biological activity against methicillin-resistant Staphylococcus aureus (MRSA), one ethyl group of the 2-[4-(diethyl-amino)-styr-yl]-1-methyl-pyridinium cation is disordered over two orientations in a 0.604 (13):0.396 (13) ratio. The main part of the cation is nearly planar with a dihedral angle of 4.50 (10)° between the pyridinium and benzene rings. In the crystal, the components are linked by O-H⋯O hydrogen bonds and C-H⋯O weak inter-actions. Aromatic π-π stacking inter-actions with centroid-centroid separations of 3.7363 (12) and 3.7490 (13) Å also occur.","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Sep","modification":"2024-11-09T09:53:12.371Z","creation":"2019-03-27T00:01:07Z"},"accession":"S-EPMC3200709","cross_references":{"pubmed":["22059040"],"doi":["10.1107/S1600536811034258"]}}