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

Luis Alvarez-Thon; Carlos Bustos; Katherina Espinoza-Santibañez; Maria Teresa Garland; Ricardo Baggio

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

Luis Alvarez-Thon
, Carlos Bustos
, Katherina Espinoza-Santibañez
, Maria Teresa Garland
, Ricardo Baggio

Universidad Andres Bello
Universidad Austral de Chile
Facultad de Ciencias Físicas y Matemáticas de la Universidad de Chile
Comisión Nacional de Energía Atómica

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

The title compound, C₁₇H₁₁F₅N ₄O, 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 π-π 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).

Original language	English
Pages (from-to)	1200-1204
Number of pages	5
Journal	Acta Crystallographica Section C: Crystal Structure Communications
Volume	69
Issue number	10
DOIs	https://doi.org/10.1107/S0108270113024943
State	Published - Oct 2013
Externally published	Yes

Keywords

crystal structure
noncrystallographic symmetry
pyrazole derivatives
type-I C - F⋯F - C contacts

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10.1107/S0108270113024943

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@article{5184a7eb204e4bb485358a8dd04d4c7a,

title = "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",

abstract = "The title compound, C17H11F5N 4O, 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 π-π 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).",

keywords = "crystal structure, noncrystallographic symmetry, pyrazole derivatives, type-I C - F⋯F - C contacts",

author = "Luis Alvarez-Thon and Carlos Bustos and Katherina Espinoza-Santiba{\~n}ez and Garland, \{Maria Teresa\} and Ricardo Baggio",

year = "2013",

month = oct,

doi = "10.1107/S0108270113024943",

language = "English",

volume = "69",

pages = "1200--1204",

journal = "Acta Crystallographica Section C: Crystal Structure Communications",

issn = "0108-2701",

number = "10",

}

Alvarez-Thon, L, Bustos, C, Espinoza-Santibañez, K, Garland, MT & Baggio, R 2013, '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', Acta Crystallographica Section C: Crystal Structure Communications, vol. 69, no. 10, pp. 1200-1204. https://doi.org/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. / Alvarez-Thon, Luis; Bustos, Carlos; Espinoza-Santibañez, Katherina et al.
In: Acta Crystallographica Section C: Crystal Structure Communications, Vol. 69, No. 10, 10.2013, p. 1200-1204.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - 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

AU - Alvarez-Thon, Luis

AU - Bustos, Carlos

AU - Espinoza-Santibañez, Katherina

AU - Garland, Maria Teresa

AU - Baggio, Ricardo

PY - 2013/10

Y1 - 2013/10

N2 - The title compound, C17H11F5N 4O, 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 π-π 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).

AB - The title compound, C17H11F5N 4O, 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 π-π 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).

KW - crystal structure

KW - noncrystallographic symmetry

KW - pyrazole derivatives

KW - type-I C - F⋯F - C contacts

UR - https://www.scopus.com/pages/publications/84885135071

U2 - 10.1107/S0108270113024943

DO - 10.1107/S0108270113024943

M3 - Article

C2 - 24096516

AN - SCOPUS:84885135071

SN - 0108-2701

VL - 69

SP - 1200

EP - 1204

JO - Acta Crystallographica Section C: Crystal Structure Communications

JF - Acta Crystallographica Section C: Crystal Structure Communications

IS - 10

ER -

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

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Keywords

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