Two tautomers in the same crystal: 3-(4-fluoro­phen­yl)-1H-pyrazole and 5-(4-fluoro­phen­yl)-1H-pyrazole

Yamuna, T. S. and Kaur, Manpreet and Jasinski, Jerry P. and Anderson, Brian J. and Yathirajan, H. S. (2014) Two tautomers in the same crystal: 3-(4-fluoro­phen­yl)-1H-pyrazole and 5-(4-fluoro­phen­yl)-1H-pyrazole. Acta Crystallographica Section E, 70 (9). o949-o950. ISSN 2056-9890

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The title co-crystal, 3-(4-fluoro­phen­yl)-1H-pyrazole–5-(4-fluoro­phen­yl)-1H-pyrazole (1/1), C9H7FN2, crystallizes with four independent mol­ecules (A, B, C and D) in the asymmetric unit exhibiting two tautomeric forms (A and D; B and C) due to N—H proton exchange between the two N atoms of the pyrazole ring. The dihedral angles between the mean planes of the pyrazole and benzene rings are 15.6 (1), 19.8 (9), 14.0 (1) and 10.7 (7)° in mol­ecules A, B, C and D, respectively. In the crystal, N—H⋯N hydrogen bonds link the four mol­ecules in the asymmetric unit into a ring with an R44(12) motif. Furthermore, weak C—H⋯F inter­actions link the mol­ecules into a three-dimensional network.

Item Type: Article
Uncontrolled Keywords: crystal structure, pyrazole derivative, tautomeric forms, hydrogen bonds
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: MUL SWAPNA user
Date Deposited: 06 Nov 2019 05:21
Last Modified: 06 Nov 2019 05:21

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