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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...

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Detalles Bibliográficos
Autores principales: Sureshbabu, N., Sughanya, V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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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