Date Published: July 01, 2012
Publisher: International Union of Crystallography
Author(s): Yu-Feng Chen, Jin-Yao Chen, Ming-Huang Hong, Jie Lu, Guo-Bin Ren.
http://doi.org/10.1107/S1600536812022131
Abstract
The title compound, C16H14F3N3OS·H2O, which had been previously characterized in the space group P-1 [Ren et al. (2011 ▶). Acta Cryst. E67, o270], has now been crystallized from 1-propanol in the monoclinic form in the space group P21/c. While the triclinic form is a Z′ = 2 crystal, the new monoclinic polymorph includes one main molecule and one water lattice molecule in the asymmetric unit. In the crystal, the water molecule is sandwiched between neighboring main molecules and behaves as both donor and acceptor in O—H⋯N and N—H⋯O hydrogen bonds with the imidazole N atoms. This pattern of chains parallel to [100] further interacts via O—H⋯N(pyridine) contacts.
Partial Text
For the role of the title compound in the synthesis of the anti-ulcer drug lansoprazole {systematic name: (RS)-2-([3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl)-1H-benzo[d]imidazole}, see: Del Rio et al. (2007 ▶); Reddy et al. (2008 ▶); Iwahi et al. (1991 ▶). For related structures, see: Swamy & Ravikumar (2007 ▶); Hakim Al-arique et al. (2010 ▶). For the triclinic polymorph of the title hydrate, see: Ren et al. (2011 ▶) and for the structure of the propan-2-ol solvo-polymorph, see: Ma et al. (2012 ▶)
Source:
http://doi.org/10.1107/S1600536812022131