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2-{[3-Methyl-4-(2,2,2-trifluoro-eth-oxy)pyridin-2-yl]methyl-sulfan-yl}-1H-benzimidazole propan-2-ol monosolvate: a second monoclinic polymorph.

ABSTRACT: In the crystal structure of the title compound, C??H??F?N?OS·C?H?O, the mol-ecules are linked into chains along [010] via N-H?O and O-H?N hydrogen bonds. The triclinic form was reported by Ren et al. [(2011). Acta Cryst. E67, o270] and the first monoclinic form by Chen et al. [(2012). Acta Cryst. E68, o2015-o2016]. The fused five-and six-membered rings make a dihedral angle of 1.22?(2)°, while the benzene and pyridine rings make a dihedral angle of 10.15?(2)°.

SUBMITTER: Ma JJ

PROVIDER: S-EPMC3393286 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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2-{[3-Methyl-4-(2,2,2-trifluoro-eth-oxy)pyridin-2-yl]methyl-sulfan-yl}-1H-benzimidazole propan-2-ol monosolvate: a second monoclinic polymorph.

Ma Jin-Ju JJ Qi Ming-Hui MH Hong Ming-Huang MH Lu Jie J Ren Guo-Bin GB

Acta crystallographica. Section E, Structure reports online 20120613 Pt 7

In the crystal structure of the title compound, C₁₆H₁₄F₃N₃OS·C₃H₈O, the mol-ecules are linked into chains along [010] via N-H⋯O and O-H⋯N hydrogen bonds. The triclinic form was reported by Ren et al. [(2011). Acta Cryst. E67, o270] and the first monoclinic form by Chen et al. [(2012). Acta Cryst. E68, o2015-o2016]. The fused five-and six-membered rings make a dihedral angle of 1.22 (2)°, while the benzene and pyridine rings make a dihedral angle of 10.15 (2)°. ...[more]

PMID: 22807843

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2-{[3-Methyl-4-(2,2,2-trifluoro-eth-oxy)pyridin-2-yl]methyl-sulfan-yl}-1H-benzimidazole monohydrate: a monoclinic polymorph.

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2-{[3-Methyl-4-(2,2,2-trifluoro-eth-oxy)pyridin-2-yl]methyl-sulfan-yl}-1H-benzimidazole monohydrate.

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2,2,2-Trifluoro-1-[3-(2,2,2-trifluoro-acet-yl)azulen-1-yl]ethanone.

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Project description:The title compound, C(13)H(13)F(3)N(2)O(2), crystallizes with two independent mol-ecules in the asymmetric unit, with different conformations of their ethyl side chains. The dihedral angles formed between the 1H-pyrazole and benzene rings in the two mol-ecules are 79.44?(6) and 77.81?(6)°. In the crystal, mol-ecules are linked by O?H-N hydrogen bonds into chains propagating along [001] and the packing is further stabilized by ?-? inter-actions [centroid-centroid separations = 3.5409?(10) and 3.6335?(10)?Å].

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2-Bromo-2-methyl-1-[4-(methyl-sulfan-yl)phen-yl]propan-1-one.

Project description:In the title compound, C(11)H(13)BrOS, the thio-ether unit and the phenyl ring adopt an essentially planar conformation, with a maximum deviation of 0.063?Å. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, extending in zigzag chains along the b axis. A weak intra-molecular C-H?Br hydrogen bond is also observed, which forms an S(6) ring motif.

| S-EPMC3379344 | biostudies-literature

Bis(2-{[3-methyl-4-(2,2,2-trifluoro-eth-oxy)-2-pyrid-yl]methyl-sulfan-yl}-1H,3H-benzimidazolium) 2,5-dichloro-3,6-dioxocyclo-hexa-1,4-diene-1,4-diolate.

Project description:The title salt, 2C(16)H(15)F(3)N(3)OS(+)·C(6)Cl(2)O(4) (2-), is composed of two independent cations of a lansoprazole {systematic name 2-([3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl)-1H-benzo[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)°, 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)°. In addition to ionic bond inter-actions, the lansoprazole inter-mediate and chloranilic ions are connected by strong N-H⋯O hydrogen bonds, which produce a set of extended O-H⋯O-H⋯O-H chains along the b axis in the (011) plane. In addition, weak C-H⋯O, C-H⋯F, N-H⋯Cl and π-π [centroid-centroid distances = 3.5631 (15), 3.8187 (13), 3.7434 (17) and 3.842 (2) Å] inter-molecular inter-actions are observed, which contribute to crystal packing stability.

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