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6-Hydroxy-5-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)(4-nitrophenyl)methyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
In the title compound, C(21)H(23)N(3)O(7), the pyrimidinedione ring adopts a screw-boat conformation, whereas the cyclohexenone ring adopts an envelope conformation, with the C atom bearing the methyl groups as the flap atom. The dihedral angle between the mean planes of the pyrimidinedione and c...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884343/ https://www.ncbi.nlm.nih.gov/pubmed/24454119 http://dx.doi.org/10.1107/S1600536813028584 |
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author | Sureshbabu, N. Sughanya, V. |
author_facet | Sureshbabu, N. Sughanya, V. |
author_sort | Sureshbabu, N. |
collection | PubMed |
description | In the title compound, C(21)H(23)N(3)O(7), the pyrimidinedione ring adopts a screw-boat conformation, whereas the cyclohexenone ring adopts an envelope conformation, with the C atom bearing the methyl groups as the flap atom. The dihedral angle between the mean planes of the pyrimidinedione and cyclohexenone rings is 58.78 (2)°. The pyrimidinedione and cyclohexenone rings form dihedral angles of 59.94 (3) and 54.73 (2)°, respectively, with the 4-nitrophenyl ring. Relatively strong intramolecular O—H⋯O hydrogen bonds are observed. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming a chain along the c-axis direction. |
format | Online Article Text |
id | pubmed-3884343 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-38843432014-01-17 6-Hydroxy-5-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)(4-nitrophenyl)methyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione Sureshbabu, N. Sughanya, V. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(23)N(3)O(7), the pyrimidinedione ring adopts a screw-boat conformation, whereas the cyclohexenone ring adopts an envelope conformation, with the C atom bearing the methyl groups as the flap atom. The dihedral angle between the mean planes of the pyrimidinedione and cyclohexenone rings is 58.78 (2)°. The pyrimidinedione and cyclohexenone rings form dihedral angles of 59.94 (3) and 54.73 (2)°, respectively, with the 4-nitrophenyl ring. Relatively strong intramolecular O—H⋯O hydrogen bonds are observed. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming a chain along the c-axis direction. International Union of Crystallography 2013-10-23 /pmc/articles/PMC3884343/ /pubmed/24454119 http://dx.doi.org/10.1107/S1600536813028584 Text en © Sureshbabu and Sughanya 2013 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 Sureshbabu, N. Sughanya, V. 6-Hydroxy-5-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)(4-nitrophenyl)methyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
title | 6-Hydroxy-5-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)(4-nitrophenyl)methyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
title_full | 6-Hydroxy-5-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)(4-nitrophenyl)methyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
title_fullStr | 6-Hydroxy-5-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)(4-nitrophenyl)methyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
title_full_unstemmed | 6-Hydroxy-5-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)(4-nitrophenyl)methyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
title_short | 6-Hydroxy-5-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)(4-nitrophenyl)methyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
title_sort | 6-hydroxy-5-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)(4-nitrophenyl)methyl]-1,3-dimethylpyrimidine-2,4(1h,3h)-dione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884343/ https://www.ncbi.nlm.nih.gov/pubmed/24454119 http://dx.doi.org/10.1107/S1600536813028584 |
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