Bis(2-3-methyl-4-(2,2,2-trifluoro{\-}eth{\-}oxy)-2-pyrid{\-}ylmethyl{\-}sulfan{\-}yl-1\it H,3\it H\sp +-benzimidazolium) 2,5-dichloro-3,6-dioxocyclo\-hexa-1,4-diene-1,4-diolate

Hakim Al-arique, Q. N. M. and Jasinski, Jerry P. and Butcher, Ray J. and Yathirajan, H. S. and Narayana, B. (2010) Bis(2-3-methyl-4-(2,2,2-trifluoro{\-}eth{\-}oxy)-2-pyrid{\-}ylmethyl{\-}sulfan{\-}yl-1\it H,3\it H\sp +-benzimidazolium) 2,5-dichloro-3,6-dioxocyclo\-hexa-1,4-diene-1,4-diolate. Acta Crystallographica Section E, 66 (6). O1507-O1508. ISSN 1600-5368

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The title salt, 2C\sb 16H\sb 15F\sb 3N\sb 3OS\sp +⋅C\sb 6Cl\sb 2O\sb 4\sp 2-}}, is composed of two independent cations of a lansoprazole systematic name 2-(3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-ylmethylsulfinyl)-1{\it H}-benzo{\it d}imidazole inter\-mediate and a dianion of chloranilic acid. In the cations of the lansoprazole inter\-mediate, the dihedral angles between the least-squares planes of the pyridine and benzimidazole rings are 11.1(6) and 13.1(5)\circ, respectively. The dihedral angles between the mean plane of the benzene ring in the chloranilic acid dianion and the pryidine and benzimidazole rings of the two lansoprazole inter\-mediate groups are 71.8(1)/80.5(7) and 74.2(4)/74.8(6)\circ. In addition to ionic bond inter\-actions, the lansoprazole inter\-mediate and chloranilic ions are connected by strong N—-H⋅sO hydrogen bonds, which produce a set of extended O—-H⋅sO—-H⋅sO—-H chains along the \it b axis in the (011) plane. In addition, weak C—-H⋅sO, C—-H⋅sF, N—-H⋅sCl and π—π centroid{--}centroid distances = 3.5631(15), 3.8187(13), 3.7434(17) and 3.842(2){\AA} inter{\-}molecular inter{\-}actions are observed, which contribute to crystal packing stability.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: LA manjunath user
Date Deposited: 09 Jul 2019 11:29
Last Modified: 09 Jul 2019 11:29

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