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[1-(2-Hydroxyethyl)-5-methylpyrazol-3-yl]ferrocenium chloride and [1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]ferrocene cocrystal

✍ Scribed by Shi, Yao-Cheng ;Zhu, Bei-Bei ;Ng, Seik Weng

Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
319 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis

The title compound, [Fe(C 5 H 5 )(C 11 H 13 N 2 O)]Á[Fe(C 5 H 5 )-(C 11 H 13 N 2 O)]Cl, cocrystallizes as (1-2-hydroxyethyl-5methylpyrazol-3-yl)ferrocenium chloride-(1-2-hydroxyethyl-5-methylpyrazol-3-yl)ferrocene (1/1). Two independent pyrazolylferrocenes in the asymmetric unit, with similar geometric parameters, form an R 4 4 (24) tetramer via O-HÁ Á ÁN hydrogen bonds and Cl À ions occupy the spaces between the tetramer rings. This tetramer is linked via C-HÁ Á Á hydrogen bonds, involving the cyclopentadienyl rings as acceptors, into a [100] chain.

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3-(1,5-Di­methylpyrazol-4-yl)-4-phenyl-1
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The tautomerism of 1,2,3-triazole, 3(5)-
The tautomerism of 1,2,3-triazole, 3(5)-methylpyrazole and their cations
✍ Javier Catalán; Marta Sánchez-Cabezudo; José Luis G. De Paz; José Elguero; Rober 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 656 KB

The annular tautomerism of 1,2,3-triazole and 3(5)-methylpyrazole is discussed by means of a combination of theoretical calculations and experimental (ICR) gas-phase basicities and acidities. In the gas phase 1,2,3-triazole exists as the ZH-tautomer, whereas both tautomers of 3(5)-methylpyrazole are