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

Yamuna, T. S. and Kaur, M. and Jasinski, J. P. and Anderson, B. 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: Structure Reports Online, 70 (9). o949-o950. ISSN 1600-5368

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The title co-crystal, 3-(4-fluoro¬phen¬yl)-1H-pyrazole-5-(4-fluoro¬phen¬yl)-1H-pyrazole (1/1), C9H7FN2, crystallizes with four independent mol¬ecules (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 mol¬ecules A, B, C and D, respectively. In the crystal, N-H N hydrogen bonds link the four mol¬ecules in the asymmetric unit into a ring with an R44(12) motif. Furthermore, weak C-H F inter¬actions link the mol¬ecules into a three-dimensional network.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: Arshiya Kousar
Date Deposited: 19 Aug 2019 10:56
Last Modified: 19 Aug 2019 10:56

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