tert-Butyl 4-{[5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl}piperazine-1-carboxylate
In the title pyrazole derivative, C25H26ClFN4O3, 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 betwe...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2010-10-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810038560 |
| _version_ | 1818945838215331840 |
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| author | Seik Weng Ng S. Sarveswari V. Vijayakumar R. Venkat Ragavan Edward R. T. Tiekink |
| author_facet | Seik Weng Ng S. Sarveswari V. Vijayakumar R. Venkat Ragavan Edward R. T. Tiekink |
| author_sort | Seik Weng Ng |
| collection | DOAJ |
| description | In the title pyrazole derivative, C25H26ClFN4O3, 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. |
| first_indexed | 2024-12-20T08:05:28Z |
| format | Article |
| id | doaj.art-638e9881fc0e49e4814d698e08f1bc68 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T08:05:28Z |
| publishDate | 2010-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-638e9881fc0e49e4814d698e08f1bc682022-12-21T19:47:25ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-10-016610o2682o268210.1107/S1600536810038560tert-Butyl 4-{[5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl}piperazine-1-carboxylateSeik Weng NgS. SarveswariV. VijayakumarR. Venkat RagavanEdward R. T. TiekinkIn the title pyrazole derivative, C25H26ClFN4O3, 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.http://scripts.iucr.org/cgi-bin/paper?S1600536810038560 |
| spellingShingle | Seik Weng Ng S. Sarveswari V. Vijayakumar R. Venkat Ragavan Edward R. T. Tiekink tert-Butyl 4-{[5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl}piperazine-1-carboxylate Acta Crystallographica Section E |
| 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 |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810038560 |
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