tert-Butyl 4-{[5-(4-chloro­phen­yl)-1-(4-fluoro­phen­yl)-1H-pyrazol-3-yl]carbon­yl}piperazine-1-carboxyl­ate

In the title pyrazole derivative, C(25)H(26)ClFN(4)O(3), both benzene rings are twisted out of the plane through the pyrazole ring, with dihedral angles of 67.62 (10) and 27.63 (10)° for the fluoro- and chloro-substituted rings, respectively. The dihedral angle between the two benzene rings is 64.54...

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Detalles Bibliográficos
Autores principales: Ragavan, R. Venkat, Vijayakumar, V., Sarveswari, S., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983130/
https://www.ncbi.nlm.nih.gov/pubmed/21587650
http://dx.doi.org/10.1107/S1600536810038560
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author Ragavan, R. Venkat
Vijayakumar, V.
Sarveswari, S.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Ragavan, R. Venkat
Vijayakumar, V.
Sarveswari, S.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Ragavan, R. Venkat
collection PubMed
description In the title pyrazole derivative, C(25)H(26)ClFN(4)O(3), both benzene rings are twisted out of the plane through the pyrazole ring, with dihedral angles of 67.62 (10) and 27.63 (10)° for the fluoro- and chloro-substituted rings, respectively. The dihedral angle between the two benzene rings is 64.54 (9)°. The piperazine ring (with a chair conformation) is linked to the pyrazole ring via a carbonyl spacer and is orientated to lie to one side of the pyrazole plane. In addition to an intra­molecular C—H⋯N contact, there are inter­molecular C—H⋯O inter­actions, which generate a supra­molecular chain with an undulating topology along the c axis that is sustained by alternating centrosymmetric ten-membered {⋯HCNCO}(2) and {⋯HC3O}(2) synthons.
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spelling pubmed-29831302010-12-30 tert-Butyl 4-{[5-(4-chloro­phen­yl)-1-(4-fluoro­phen­yl)-1H-pyrazol-3-yl]carbon­yl}piperazine-1-carboxyl­ate Ragavan, R. Venkat Vijayakumar, V. Sarveswari, S. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title pyrazole derivative, C(25)H(26)ClFN(4)O(3), both benzene rings are twisted out of the plane through the pyrazole ring, with dihedral angles of 67.62 (10) and 27.63 (10)° for the fluoro- and chloro-substituted rings, respectively. The dihedral angle between the two benzene rings is 64.54 (9)°. The piperazine ring (with a chair conformation) is linked to the pyrazole ring via a carbonyl spacer and is orientated to lie to one side of the pyrazole plane. In addition to an intra­molecular C—H⋯N contact, there are inter­molecular C—H⋯O inter­actions, which generate a supra­molecular chain with an undulating topology along the c axis that is sustained by alternating centrosymmetric ten-membered {⋯HCNCO}(2) and {⋯HC3O}(2) synthons. International Union of Crystallography 2010-09-30 /pmc/articles/PMC2983130/ /pubmed/21587650 http://dx.doi.org/10.1107/S1600536810038560 Text en © Ragavan et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Ragavan, R. Venkat
Vijayakumar, V.
Sarveswari, S.
Ng, Seik Weng
Tiekink, Edward R. T.
tert-Butyl 4-{[5-(4-chloro­phen­yl)-1-(4-fluoro­phen­yl)-1H-pyrazol-3-yl]carbon­yl}piperazine-1-carboxyl­ate
title tert-Butyl 4-{[5-(4-chloro­phen­yl)-1-(4-fluoro­phen­yl)-1H-pyrazol-3-yl]carbon­yl}piperazine-1-carboxyl­ate
title_full tert-Butyl 4-{[5-(4-chloro­phen­yl)-1-(4-fluoro­phen­yl)-1H-pyrazol-3-yl]carbon­yl}piperazine-1-carboxyl­ate
title_fullStr tert-Butyl 4-{[5-(4-chloro­phen­yl)-1-(4-fluoro­phen­yl)-1H-pyrazol-3-yl]carbon­yl}piperazine-1-carboxyl­ate
title_full_unstemmed tert-Butyl 4-{[5-(4-chloro­phen­yl)-1-(4-fluoro­phen­yl)-1H-pyrazol-3-yl]carbon­yl}piperazine-1-carboxyl­ate
title_short tert-Butyl 4-{[5-(4-chloro­phen­yl)-1-(4-fluoro­phen­yl)-1H-pyrazol-3-yl]carbon­yl}piperazine-1-carboxyl­ate
title_sort tert-butyl 4-{[5-(4-chloro­phen­yl)-1-(4-fluoro­phen­yl)-1h-pyrazol-3-yl]carbon­yl}piperazine-1-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983130/
https://www.ncbi.nlm.nih.gov/pubmed/21587650
http://dx.doi.org/10.1107/S1600536810038560
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AT ngseikweng tertbutyl454chlorophenyl14fluorophenyl1hpyrazol3ylcarbonylpiperazine1carboxylate
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