Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 10 (October 2013)


organic compounds



Acta Cryst. (2013). C69, 1200-1204    [ doi:10.1107/S0108270113024943 ]

Dimers linked by type-I C-F...F-C contacts in (Z)-3-methyl-4-[2-(4-methyl­phenyl)hydrazinyl­idene]-1-(penta­fluoro­phenyl)-1H-pyrazol-5(4H)-one

L. Alvarez-Thon, C. Bustos, K. Espinoza-Santibañez, M. T. Garland and R. Baggio

Abstract: The title compound, C17H11F5N4O, is described and compared with two closely related analogues in the literature. There are two independent mol­ecules in the asymmetric unit, linked by N-H...O hydrogen bonds and [pi]-[pi] inter­actions into dimeric entities, presenting a noticeable noncrystallographic C2 symmetry. These dimers are in turn linked by a medium-strength type-I C-F...F-C inter­action into elongated tetra­mers. Much weaker C-H...F contacts link the tetra­mers into broad two-dimensional substructures parallel to (101).

Formula: C17H11F5N4O

Keywords: crystal structure; pyrazole derivatives; noncrystallographic symmetry; type-I C-F...F-C contacts.


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[ doi:10.1107/S0108270113024943/fn3154Isup3.cml ]
Supplementary material


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