2-Amino-6-[(2,6-dichlorophenyl)imino]-3-oxocyclohexa-1,4-dienecarbaldehyde
The title compound, C13H8Cl2N2O2, was obtained by the oxidation of diclofenac {systematic name: 2-[2-(2,6-dichlorophenylamino)phenyl]acetic acid}, an anti-inflammatory drug, with hydrogen peroxide catalysed by chlorido[5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrinato]manganese(III), using ammoniu...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2011-11-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811042619 |
| _version_ | 1819289020301049856 |
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| author | Cláudia M. B. Neves José A. Fernandes Mário M. Q. Simões M. Graça P. M. S. Neves José A. S. Cavaleiro Filipe A. Almeida Paz |
| author_facet | Cláudia M. B. Neves José A. Fernandes Mário M. Q. Simões M. Graça P. M. S. Neves José A. S. Cavaleiro Filipe A. Almeida Paz |
| author_sort | Cláudia M. B. Neves |
| collection | DOAJ |
| description | The title compound, C13H8Cl2N2O2, was obtained by the oxidation of diclofenac {systematic name: 2-[2-(2,6-dichlorophenylamino)phenyl]acetic acid}, an anti-inflammatory drug, with hydrogen peroxide catalysed by chlorido[5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrinato]manganese(III), using ammonium acetate as co-catalyst. The asymmetric unit contains two crystallographically independent molecules of the title compound (Z′ = 2). The close packing of individual molecules is mediated by a series of strong and rather directional N—H...Cl and N—H...O hydrogen bonds, plus weak π–π [distance between the individual double bonds of symmetry-related iminoquinone rings = 3.7604 (13) Å] and Cl...O interactions [3.0287 (18) Å]. |
| first_indexed | 2024-12-24T03:00:12Z |
| format | Article |
| id | doaj.art-bd031284f052424cb3b52903df5c84f0 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T03:00:12Z |
| publishDate | 2011-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-bd031284f052424cb3b52903df5c84f02022-12-21T17:18:14ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-11-016711o3022o302310.1107/S16005368110426192-Amino-6-[(2,6-dichlorophenyl)imino]-3-oxocyclohexa-1,4-dienecarbaldehydeCláudia M. B. NevesJosé A. FernandesMário M. Q. SimõesM. Graça P. M. S. NevesJosé A. S. CavaleiroFilipe A. Almeida PazThe title compound, C13H8Cl2N2O2, was obtained by the oxidation of diclofenac {systematic name: 2-[2-(2,6-dichlorophenylamino)phenyl]acetic acid}, an anti-inflammatory drug, with hydrogen peroxide catalysed by chlorido[5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrinato]manganese(III), using ammonium acetate as co-catalyst. The asymmetric unit contains two crystallographically independent molecules of the title compound (Z′ = 2). The close packing of individual molecules is mediated by a series of strong and rather directional N—H...Cl and N—H...O hydrogen bonds, plus weak π–π [distance between the individual double bonds of symmetry-related iminoquinone rings = 3.7604 (13) Å] and Cl...O interactions [3.0287 (18) Å].http://scripts.iucr.org/cgi-bin/paper?S1600536811042619 |
| spellingShingle | Cláudia M. B. Neves José A. Fernandes Mário M. Q. Simões M. Graça P. M. S. Neves José A. S. Cavaleiro Filipe A. Almeida Paz 2-Amino-6-[(2,6-dichlorophenyl)imino]-3-oxocyclohexa-1,4-dienecarbaldehyde Acta Crystallographica Section E |
| title | 2-Amino-6-[(2,6-dichlorophenyl)imino]-3-oxocyclohexa-1,4-dienecarbaldehyde |
| title_full | 2-Amino-6-[(2,6-dichlorophenyl)imino]-3-oxocyclohexa-1,4-dienecarbaldehyde |
| title_fullStr | 2-Amino-6-[(2,6-dichlorophenyl)imino]-3-oxocyclohexa-1,4-dienecarbaldehyde |
| title_full_unstemmed | 2-Amino-6-[(2,6-dichlorophenyl)imino]-3-oxocyclohexa-1,4-dienecarbaldehyde |
| title_short | 2-Amino-6-[(2,6-dichlorophenyl)imino]-3-oxocyclohexa-1,4-dienecarbaldehyde |
| title_sort | 2 amino 6 2 6 dichlorophenyl imino 3 oxocyclohexa 1 4 dienecarbaldehyde |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536811042619 |
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