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Monoclinic form I of clopidogrel hydrogen sulfate from powder diffraction data

The asymmetric unit of the title compound, C(16)H(17)ClNO(2)S(+)·HSO(4) (−), (I) [systematic name: (+)-(S)-5-[(2-chloro­phen­yl)(meth­oxy­carbon­yl)meth­yl]-4,5,6,7-tetra­hydro­thieno[3,2-c]pyridin-5-ium hydrogen sulfate], contains two independent cations of clopidogrel and two independent hydrogens...

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Detalles Bibliográficos
Autores principales: Chernyshev, Vladimir V., Pirogov, Sergey V., Shishkina, Irina N., Velikodny, Yurii A.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007342/
https://www.ncbi.nlm.nih.gov/pubmed/21588394
http://dx.doi.org/10.1107/S1600536810028783
Descripción
Sumario:The asymmetric unit of the title compound, C(16)H(17)ClNO(2)S(+)·HSO(4) (−), (I) [systematic name: (+)-(S)-5-[(2-chloro­phen­yl)(meth­oxy­carbon­yl)meth­yl]-4,5,6,7-tetra­hydro­thieno[3,2-c]pyridin-5-ium hydrogen sulfate], contains two independent cations of clopidogrel and two independent hydrogensulfate anions. The two independent cations are of similar conformation; however, this differs from that observed in ortho­rhom­bic form (II) [Bousquet et al. (2003 ▶). US Patent No. 6 504 030]. The H—N—C(chiral)—H fragment shows a trans conformation in both independent cations in (I) and a gauche conformation in (II). In (I), classical inter­molecular N—H⋯O and O—H⋯O hydrogen bonds link two independent cations and two independent anions into an isolated cluster, in which two cations inter­act with one anion only via N—H⋯O hydrogen bonds. Weak inter­molecular C—H⋯O hydrogen bonds further consolidate the crystal packing.